UCSF

ZINC00338275

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 12 Yes

Popular Name: 4-Hydroxy-3-methoxybenzoic acid 4-Hydroxy-3-methoxybenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 121-34-6 , 28508-48-7 , [121-34-6]

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) 1.19 2.2 -46.94 1 4 -1 70 167.14 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.86e+01 g/l DrugBank-experimental
MP 208-210 °C(lit.) Indofine
MP 209-212o C Indofine
MP 210 TCI
Mp [°C] 210 - 214 Acros Organics
MP 210-212° Oakwood Chemical
MP 210-213° Matrix Scientific
Melting_Point 210-218? Alfa-Aesar
Melting_Point 210-218° Alfa-Aesar
MP 211 - 213 Enamine Building Blocks
MP 211...213 Enamine Building Blocks
MP 212 - 213 Enamine Building Blocks
MP 213 - 213 Enamine Building Blocks
MP 213 - 215 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
UniProt Database Links AA7GT_DELGR; GH312_ARATH; LIGC_SPHPI; UBIC_ECOLI ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation Acros Organics
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 S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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