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1221288-23-8 | 1H-Indazole-7-carboxylic acid, 1-methyl-
CAS No: 1221288-23-8 Catalog No: AG0016T6 MDL No:MFCD15071444
Product Description
Catalog Number:
AG0016T6
Chemical Name:
1H-Indazole-7-carboxylic acid, 1-methyl-
CAS Number:
1221288-23-8
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD15071444
IUPAC Name:
1-methylindazole-7-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-11-8-6(5-10-11)3-2-4-7(8)9(12)13/h2-5H,1H3,(H,12,13)
InChI Key:
APWKGIDYINRPKW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1n(C)nc2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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