UCSF

ZINC01678250

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 Yes

Popular Name: trans-4-Hexylcyclohexanecarboxylic acid trans-4-Hexylcyclohexanecarboxyl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 21643-38-9 , 38289-30-4 , 38792-92-6

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) 4.38 1.43 -48.11 0 2 -1 40 211.325 6 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point (C-N) 97-99? Alfa-Aesar
Melting_Point (C-N) 97-99° Alfa-Aesar
melting_point 50 - 51 KeyOrganics

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