UCSF

ZINC00388662

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 Yes

Popular Name: Isobornyl acetate Isobornyl acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 125-12-2 , 20347-65-3 , 5655-61-8 , [125-12-2]

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) 3.05 3.29 -4.9 0 2 0 26 196.29 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 220-224? Alfa-Aesar
Boiling_Point 220-224° Alfa-Aesar
Boiling_Point 223-224? Alfa-Aesar
Boiling_Point 223-224° Alfa-Aesar

Activity (Go SEA)

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