UCSF

ZINC14592840

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2008 8 Yes

Popular Name: 4-Methylpent-4-enoic acid 4-Methylpent-4-enoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1001-75-8 , [1001-75-8]

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 3.93 -44.92 0 2 -1 40 113.136 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0379979A1; EP0379979B1; EP0497258A2; EP0497258A3; EP0644762B1; EP0823254A1; EP0900796A1; EP0972525A1; US4985444; US5155114; US5338743; US5643938; WO1993025205A1 IBM Patent Data
PUBCHEM_PATENT_ID EP0835248A1; EP0998468A1; WO1999005130A1; WO2000023413A1 IBM Patent Data

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