UCSF

ZINC01063075

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 11 No

Popular Name: Campholenaldehyde Campholenaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 4501-58-0 , 91819-58-8 , 97-69-8 , [4501-58-0] , [91819-58-8]

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) 3.13 2.69 -4.34 0 1 0 17 152.237 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 173° Matrix Scientific
PUBCHEM_PATENT_ID EP0155591A2; US4610813 IBM Patent Data
Patent Database Links EP1172142 ChEBI
Warnings IRRITANT Matrix Scientific

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