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677306-38-6 | 1H-Indazole-4-carboxylic acid
CAS No: 677306-38-6 Catalog No: AG003EEC MDL No:MFCD03840644
Product Description
Catalog Number:
AG003EEC
Chemical Name:
1H-Indazole-4-carboxylic acid
CAS Number:
677306-38-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD03840644
IUPAC Name:
1H-indazole-4-carboxylic acid
InChI:
InChI=1S/C8H6N2O2/c11-8(12)5-2-1-3-7-6(5)4-9-10-7/h1-4H,(H,9,10)(H,11,12)
InChI Key:
KGKZHHIUOZGUNP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1cn[nH]2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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