UCSF

ZINC00967163

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 7 No

Popular Name: 2-METHYLENEBUTANOIC ACID 2-METHYLENEBUTANOIC ACID

Find On: PubMed — Wikipedia — Google

CAS Numbers: 3586-58-1 , [80-62-6]

Download: MOL2 SDF SMILES Flexibase

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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) 1.02 3.05 -48.19 0 2 -1 40 99.109 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0074607A1; US4418196 IBM Patent Data

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