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1167055-66-4 | 1H-Indazole-3,4-dicarboxylic acid, 3,4-dimethyl ester
CAS No: 1167055-66-4 Catalog No: AG000D23 MDL No:
Product Description
Catalog Number:
AG000D23
Chemical Name:
1H-Indazole-3,4-dicarboxylic acid, 3,4-dimethyl ester
CAS Number:
1167055-66-4
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
IUPAC Name:
dimethyl 1H-indazole-3,4-dicarboxylate
InChI:
InChI=1S/C11H10N2O4/c1-16-10(14)6-4-3-5-7-8(6)9(13-12-7)11(15)17-2/h3-5H,1-2H3,(H,12,13)
InChI Key:
GWQLJRXJHTZIFA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1c(n[nH]2)C(=O)OC
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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