UCSF

ZINC04219023

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 12 Yes

Popular Name: 3-Methoxy-4-methylbenzoic acid 3-Methoxy-4-methylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7151-68-0 , [7151-68-0]

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) 2.28 1.21 -50.17 0 3 -1 49 165.168 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 152 - 154 Acros Organics
MP 152...154 Enamine Building Blocks
Melting_Point 158-160? Alfa-Aesar
Melting_Point 158-160° Alfa-Aesar
MP 160-161° Oakwood Chemical
melting_point 161 - 163 KeyOrganics
melting_point 161-163 deg KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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