UCSF

ZINC00388238

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: Methyl 4-hydroxy-3-methoxybenzoate Methyl 4-hydroxy-3-methoxybenzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3943-74-6 , [3943-74-6]

Download: MOL2 SDF SMILES Flexibase

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) 1.45 2.3 -7.89 1 4 0 56 182.175 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 285 - 287 Acros Organics
Boiling_Point 285-287? Alfa-Aesar
Boiling_Point 285-287° Alfa-Aesar
BP 287 TCI
ALOGPS_SOLUBILITY 3.57e+00 g/l DrugBank-experimental
Melting_Point 62-66? Alfa-Aesar
Melting_Point 62-66° Alfa-Aesar
Mp [°C] 64 - 67 Acros Organics
MP 64-67 °C(lit.) Indofine
MP 64...67 Enamine Building Blocks
MP 65 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
UniProt Database Links AA7GT_DELGR; GH312_ARATH; LIGC_SPHPI; UBIC_ECOLI ChEBI
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; 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

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