UCSF

ZINC00153019

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 12 Yes

Popular Name: 3-(2-Hydroxyphenyl)propionic acid 3-(2-Hydroxyphenyl)propionic acid

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CAS Numbers: 495-78-3 , [495-78-3]

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) 1.82 2.93 -48.86 1 3 -1 60 165.168 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 83° Matrix Scientific
Melting_Point 85-89? Alfa-Aesar
Melting_Point 85-89° Alfa-Aesar
MP 86 - 89 Enamine Building Blocks
MP 86-89° Oakwood Chemical
MP 86...89 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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