UCSF

ZINC06507027

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 14 Yes

Popular Name: Ethyl 1H-indazole-3-carboxylate Ethyl 1H-indazole-3-carboxylate

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CAS Numbers: 4498-68-4 , [105191-40-0] , [4498-68-4]

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) 2.07 4.77 -8.69 1 4 0 55 190.202 3 ↓
Ref Reference (pH 7) 2.07 4.74 -7.09 1 4 0 55 190.202 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 136-138? Alfa-Aesar
Melting_Point 136-138° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
PUBCHEM_PATENT_ID EP0908452A2; EP0908459A1; EP0939757A1; US5760028; US5914405; US5959121; US6069152; US6117882; WO1997023480A1; WO1999017772A1; WO1999018080A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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