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871709-92-1 | 3-Amino-1H-indazole-6-carboxylic acid
CAS No: 871709-92-1 Catalog No: AG004KDJ MDL No:MFCD11847525
Product Description
Catalog Number:
AG004KDJ
Chemical Name:
3-Amino-1H-indazole-6-carboxylic acid
CAS Number:
871709-92-1
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
MDL Number:
MFCD11847525
IUPAC Name:
3-amino-1H-indazole-6-carboxylic acid
InChI:
InChI=1S/C8H7N3O2/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7/h1-3H,(H,12,13)(H3,9,10,11)
InChI Key:
NECZTEQDOQLSQW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)[nH]nc2N
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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