UCSF

ZINC00388671

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 12 Yes

Popular Name: Phenethyl acetate Phenethyl acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 103-45-7 , [103-45-7]

Download: MOL2 SDF SMILES Flexibase

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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) 2.19 2.47 -6.49 0 2 0 26 164.204 4 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 31? Alfa-Aesar
Melting_Point 31° Alfa-Aesar
Boiling_Point 231-233? Alfa-Aesar
Boiling_Point 231-233° Alfa-Aesar
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0324431A1; EP0324431B1; US4935432; US5017703 IBM Patent Data
Patent Database Links EP1964543; EP1964544; US2004019041; US2007237741; US2007237742; WO2007096409 ChEBI

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