UCSF

ZINC00409766

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: 2-Cyclohexylpropanoic acid 2-Cyclohexylpropanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3451-36-3 , 492-37-5 , 6051-13-4 , 701-97-3 , [6051-13-4]

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) 2.59 1.04 -47 0 2 -1 40 155.217 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 5? Alfa-Aesar
Melting_Point 5° Alfa-Aesar
Boiling_Point 264-266? Alfa-Aesar
Boiling_Point 264-266° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0055917A1; US4397849 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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