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1227268-90-7 | 1H-Indazole-6-carboxylic acid, 5-cyano-
CAS No: 1227268-90-7 Catalog No: AG000J4I MDL No:
Product Description
Catalog Number:
AG000J4I
Chemical Name:
1H-Indazole-6-carboxylic acid, 5-cyano-
CAS Number:
1227268-90-7
Molecular Formula:
C9H5N3O2
Molecular Weight:
187.1549
IUPAC Name:
5-cyano-1H-indazole-6-carboxylic acid
InChI:
InChI=1S/C9H5N3O2/c10-3-5-1-6-4-11-12-8(6)2-7(5)9(13)14/h1-2,4H,(H,11,12)(H,13,14)
InChI Key:
ZGVFNHRLSFYVSF-UHFFFAOYSA-N
SMILES:
N#Cc1cc2cn[nH]c2cc1C(=O)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.158g/mol
Monoisotopic Mass:
187.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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