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1167056-94-1 | 1H-Indazole-4-carboxylic acid, 3-amino-, methyl ester
CAS No: 1167056-94-1 Catalog No: AG000D4E MDL No:
Product Description
Catalog Number:
AG000D4E
Chemical Name:
1H-Indazole-4-carboxylic acid, 3-amino-, methyl ester
CAS Number:
1167056-94-1
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
IUPAC Name:
methyl 3-amino-1H-indazole-4-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-14-9(13)5-3-2-4-6-7(5)8(10)12-11-6/h2-4H,1H3,(H3,10,11,12)
InChI Key:
JAMTVIKEAFEJBA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c(N)n[nH]2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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