UCSF

ZINC05086228

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 13 Yes

Popular Name: 1H-Indazole-6-carboxylic acid methyl ester 1H-Indazole-6-carboxylic acid me…

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CAS Numbers: 170487-40-8 , [170487-40-8]

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) 1.77 3.77 -7.96 1 4 0 55 176.175 2 ↓
Ref Reference (pH 7) 1.77 3.96 -11.9 1 4 0 55 176.175 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 142-144? Alfa-Aesar
MP 142-144° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Matrix Scientific
PUBCHEM_PATENT_ID EP0656359A1; EP0931075A1; EP0939757A1; EP1054871A2; US5554620; US5631264; US5760028; WO1997023480A1; WO1998009961A1; WO1998043962A1; WO1999050249A2 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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