UCSF

ZINC01995085

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 9 Yes

Popular Name: Ethyl 4-pentenoate Ethyl 4-pentenoate

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CAS Number: 1968-40-7

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) 1.67 5.19 -4.54 0 2 0 26 128.171 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 146 TCI
Boiling_Point 146? Alfa-Aesar
Boiling_Point 146° Alfa-Aesar
PUBCHEM_PATENT_ID EP0513387A1; EP0749964A1; EP0835248A1; EP0934937A1; EP0971904A1; US5643932; US5668137; US5677319; US6080764; WO2000024719A1; WO2000078768A1 IBM Patent Data

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