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1000340-77-1 | 1H-Indazole-3-carboxylic acid, 4,7-dimethyl-
CAS No: 1000340-77-1 Catalog No: AG0000FL MDL No:
Product Description
Catalog Number:
AG0000FL
Chemical Name:
1H-Indazole-3-carboxylic acid, 4,7-dimethyl-
CAS Number:
1000340-77-1
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
IUPAC Name:
4,7-dimethyl-2H-indazole-3-carboxylic acid
InChI:
InChI=1S/C10H10N2O2/c1-5-3-4-6(2)8-7(5)9(10(13)14)12-11-8/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChI Key:
JJNYKRBGXTVJNW-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c2c1c(C)ccc2C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.202g/mol
Monoisotopic Mass:
190.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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