UCSF

ZINC00164907

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 10 Yes

Popular Name: 1-Methylcyclohexanecarboxylic acid 1-Methylcyclohexanecarboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1123-25-7 , [1123-25-7]

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) 2.09 0.98 -48.89 0 2 -1 40 141.19 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 236 TCI
Boiling_Point 236? Alfa-Aesar
Boiling_Point 236° Alfa-Aesar
MP 36 - 39 Enamine Building Blocks
Melting_Point 36-39? Alfa-Aesar
Melting_Point 36-39° Alfa-Aesar
MP 36...39 Enamine Building Blocks
MP 38 TCI
mp 38 - 38.5 MolMall (formerly Molecular Diversity Preservation International)
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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