UCSF

ZINC00157937

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 8 Yes

Popular Name: cyclohexane-1,2-diol cyclohexane-1,2-diol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1072-86-2 , 1460-57-7 , 1792-81-0 , 931-17-9 , [1460-57-7]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 0.44 -1.31 -4.92 2 2 0 40 116.16 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 100 TCI
Mp [°C] 100 - 104 Acros Organics
MP 100-102°C Fluorochem
Melting_Point 101-106? Alfa-Aesar
Melting_Point 101-106° Alfa-Aesar
MP 102 TCI
MP 104 TCI
mp 107 - 109 MolMall (formerly Molecular Diversity Preservation International)
BP 116 / 13 TCI
BP [°C] 117 (p=12.75 torr) Acros Organics
BP [°C] 118 - 120 (p=10 torr) Acros Organics
Boiling_Point 118-120?/10mm Alfa-Aesar
Boiling_Point 118-120°/10mm Alfa-Aesar
BP 120 / 14 TCI
Boiling_Point 231-233? Alfa-Aesar
Boiling_Point 231-233° Alfa-Aesar
BP 236 TCI
Melting_Point 72-76? Alfa-Aesar
Melting_Point 72-76° Alfa-Aesar
Mp [°C] 73 - 77 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

No pre-computed analogs available. Try a structural similarity search.