UCSF

ZINC00409239

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 13 Yes

Popular Name: Phenethyl propionate Phenethyl propionate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 120-45-6 , 122-70-3 , [120-45-6]

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) 2.70 2.76 -5.58 0 2 0 26 178.231 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 245? Alfa-Aesar
Boiling_Point 245° Alfa-Aesar
PUBCHEM_PATENT_ID EP0179532A1; EP0316726A2; EP0347596A2; EP0347596B1; EP0360467A2; EP0368146A2; EP0383446B1; EP0480567A1; EP0524762A2; EP0524762A3; EP0531636A1; EP0531636B1; EP0600092A1; EP0623598A1; EP0913383A1; EP1063229A1; US4330425; US4342663; US4390448; US4650604; US4 IBM Patent Data

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