UCSF

ZINC01597436

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: 1-Phenylpropyl acetate; 2114-29-6; C17666 1-Phenylpropyl acetate; 2114-29-…

Find On: PubMed — Wikipedia — Google

CAS Number: 2114-29-6

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) 2.85 2.62 -5.35 0 2 0 26 178.231 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0947510A1 IBM Patent Data

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