UCSF

ZINC02522343

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 Yes

Popular Name: Methyl4-pentenoate Methyl4-pentenoate

Find On: PubMed — Wikipedia — Google

CAS Number: 818-57-5

Other Names:

Methyl 4-pentenoate

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) 1.29 4.28 -4.75 0 2 0 26 114.144 4 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0749964A1; EP0835248A1; EP0971904A1; US4841043; US5668137 IBM Patent Data

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