UCSF

ZINC02508249

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 Yes

Popular Name: Bicyclo[2.2.1]heptan-2-ol Bicyclo[2.2.1]heptan-2-ol

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CAS Numbers: 1632-68-4 , 36779-79-0 , 497-36-9 , 497-37-0

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) 1.21 2.09 -2.19 1 1 0 20 112.172 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 124 - 126 Enamine Building Blocks
MP 124...126 Enamine Building Blocks
Mp [°C] 148 - 154 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% )