UCSF

ZINC19087886

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 9 Yes

Popular Name: 3-methyl-1H-pyrazole-4-carboxylic acid 3-methyl-1H-pyrazole-4-carboxyli…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 40704-11-8 , [40704-11-8]

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) 0.04 2.1 -45.57 1 4 -1 69 125.107 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 230° Matrix Scientific
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5827863; US6153752; WO1993017681A1 IBM Patent Data

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