UCSF

ZINC00388775

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 2-Hydroxycyclohexanecarbonitrile 2-Hydroxycyclohexanecarbonitrile

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CAS Numbers: 125356-61-8 , 30683-77-3 , 611-20-1 , 63301-31-5 , [30683-77-3]

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) 1.24 1.81 -6.66 1 2 0 44 125.171 0 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 46 - 49 Acros Organics
BP [°C] 87 - 92 (p=4 torr) Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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