UCSF

ZINC02558675

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 Yes

Popular Name: Isopulegol Isopulegol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 628693-74-3 , 7786-67-6 , 89-79-2

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) 2.65 -0.24 -2.48 1 1 0 20 154.253 1 ↓

Vendor Notes

Note Type Comments Provided By
biological_source Isol. from Ceratocystis coerulescens (fungus), also in Mentha pulegium and other essential oils. Constit. of Leptospermum liversidgei ZereneX Building Blocks
Boiling_Point 90-92?/12mm Alfa-Aesar
Boiling_Point 90-92°/12mm Alfa-Aesar
biological_use Flavouring agent IBScreen Bioactives
PUBCHEM_PATENT_ID US5464824; WO1994012143A2 IBM Patent Data

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