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89438-40-4 | 1H-Indazole-1-carboxylic acid, 2,3-dihydro-5-methyl-3-oxo-, ethyl ester
CAS No: 89438-40-4 Catalog No: AG004418 MDL No:
Product Description
Catalog Number:
AG004418
Chemical Name:
1H-Indazole-1-carboxylic acid, 2,3-dihydro-5-methyl-3-oxo-, ethyl ester
CAS Number:
89438-40-4
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
IUPAC Name:
ethyl 5-methyl-3-oxo-2H-indazole-1-carboxylate
InChI:
InChI=1S/C11H12N2O3/c1-3-16-11(15)13-9-5-4-7(2)6-8(9)10(14)12-13/h4-6H,3H2,1-2H3,(H,12,14)
InChI Key:
AXELRKZDHKCFOB-UHFFFAOYSA-N
SMILES:
CCOC(=O)n1[nH]c(=O)c2c1ccc(c2)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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