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1031417-77-2

1031417-77-2 | 1-Methyl-1H-indazole-6-carboxylic acid

CAS No: 1031417-77-2 Catalog No: AG00389W MDL No:MFCD11043008

Product Description

Catalog Number:
AG00389W
Chemical Name:
1-Methyl-1H-indazole-6-carboxylic acid
CAS Number:
1031417-77-2
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD11043008
IUPAC Name:
1-methylindazole-6-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-11-8-4-6(9(12)13)2-3-7(8)5-10-11/h2-5H,1H3,(H,12,13)
InChI Key:
DNMTXRJELGPOGW-UHFFFAOYSA-N
SMILES:
Cn1ncc2c1cc(cc2)C(=O)O

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:
1.6  

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