UCSF

ZINC00164777

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 11 Yes

Popular Name: 2-Hydroxyphenylacetic acid 2-Hydroxyphenylacetic acid

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CAS Numbers: 614-75-5 , [614-75-5]

Other Names:

"2-Hydroxyphenylacetic acid, 99%"

(2-HYDROXYPHENYL)-ACETIC ACID; (2-hydroxyphenyl)acetic acid; 2-Hydroxyphenylacetate; 2-Hydroxyphenylacetic acid; Acetic acid, (o-hydroxyphenyl)-; Benzeneacetic acid, 2-hydroxy-; bmse000715

(2-hydroxyphenyl)acetate

(2-hydroxyphenyl)acetate; 2-hydroxybenzeneacetic acid (1-); 2-hydroxyphenylacetate; o-hydroxyphenylacetate

(2-Hydroxyphenyl)acetate;(2-Hydroxyphenyl)acetic acid;(O-hydroxyphenyl)-Acetate;(O-hydroxyphenyl)-Acetic acid;(O-Hydroxyphenyl)acetate;(O-Hydroxyphenyl)acetic acid;2-HPAA;2-Hydroxybenzeneacetate;2-Hydroxybenzeneacetic acid;2-Hydroxyphenylacetic acid;Hydro

(2-hydroxyphenyl)acetic acid

(o-hydroxyphenyl)acetic acid; 2'-hydroxyphenylacetic acid; 2-hydroxybenzeneacetic acid; 2-hydroxyphenylacetic acid; OHP; o-hydroxyphenylacetic acid

2-(2-hydroxyphenyl)acetic acid

2-hydroxybenzeneacetic acid; 2-hydroxyphenylacetate; 2-hydroxyphenylacetic acid; CPD-11495; acetic acid, (o-hydroxyphenyl)-; benzeneacetic acid, 2-hydroxy-; o-hydroxy phenylacetic acid; o-hydroxyphenylacetate; o-hydroxyphenylacetic acid

2-Hydroxyphenylacetate; 2-Hydroxyphenylacetic acid; 614-75-5; C05852

2-Hydroxyphenylacetic acid, 98%

2-Hydroxyphenylacetic acid, 99%

2-HydroxyphenylaceticAcid

CHEBI:19655; CHEBI:1169

HYDROXYPHENYLACETICACID 2-

L-2-Hydroxy-Phenylacetic Acid [17199-29-0]; (L(+)-Mandelic acid)

L-2-HYDROXYPHENYLACETIC ACID; [17199-29-0]

MFCD00004323

o-Hydroxyphenylacetic acid

o-HYDROXYPHENYLACETIC ACID; [614-75-5]

OR-0020

Ortho-Hydroxyphenylacetic acid

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.30 2.13 -51.49 1 3 -1 60 151.141 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 131-134 °C(lit.) Indofine
Mp [°C] 143 - 148 Acros Organics
M.P 145-147 °C Indofine
Melting_Point 145-147? Alfa-Aesar
Melting_Point 145-147° Alfa-Aesar
MP 147 TCI
mp 148 - 151 MolMall (formerly Molecular Diversity Preservation International)
mp 149 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 96% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
UniProt Database Links HPAH_GEOTN; NAGG_RALSP; NAGH_RALSP; PAAZ_ECOLI; PHACA_EMEND; PHACB_EMEND ChEBI
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ALDR-2-E Aldose Reductase (cluster #2 Of 5), Eukaryotic Eukaryotes 3500 0.69 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ALDR_HUMAN P15121 Aldose Reductase, Human 3500 0.69 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Pregnenolone biosynthesis

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.