UCSF

ZINC04362888

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 14 Yes

Popular Name: 3-(Methoxycarbonyl)-5-methylbenzoic acid 3-(Methoxycarbonyl)-5-methylbenz…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 167299-68-5 , 17649-58-0 , 499-49-0 , [167299-68-5]

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) 2.40 2.24 -48.23 0 4 -1 66 193.178 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0609625A1 IBM Patent Data

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