UCSF

ZINC00395010

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: METHYL 2-HYDROXY-4-METHYLBENZOATE METHYL 2-HYDROXY-4-METHYLBENZOATE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4670-56-8 , [4670-56-8]

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) 2.56 1.22 -7.79 1 3 0 47 166.176 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 242 TCI
Boiling_Point 242? lit. Alfa-Aesar
Melting_Point 27-28? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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