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885223-58-5 | 3-Methyl-1H-indazole-5-carboxylic acid
CAS No: 885223-58-5 Catalog No: AG004824 MDL No:MFCD14706741
Product Description
Catalog Number:
AG004824
Chemical Name:
3-Methyl-1H-indazole-5-carboxylic acid
CAS Number:
885223-58-5
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD14706741
IUPAC Name:
3-methyl-2H-indazole-5-carboxylic acid
InChI:
InChI=1S/C9H8N2O2/c1-5-7-4-6(9(12)13)2-3-8(7)11-10-5/h2-4H,1H3,(H,10,11)(H,12,13)
InChI Key:
BGNZTRUIXUSPDY-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c2c1cc(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:
2
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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