UCSF

ZINC06130108

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 12 Yes

Popular Name: Trans-4-Isopropylcyclohexanecarboxylic acid Trans-4-Isopropylcyclohexanecarb…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 280771-97-3 , 62067-45-2 , 7077-05-6 , 7084-93-7 , [7077-05-6] , [7084-93-7]

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) 3.12 1.43 -47.16 0 2 -1 40 169.244 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 90-93° Oakwood Chemical
MP 94° Matrix Scientific
purity 95 Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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