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1788041-62-2 | 1H-Indazole-3,5-dicarboxylic acid, 6-methyl-, 3,5-dimethyl ester
CAS No: 1788041-62-2 Catalog No: AG0026CA MDL No:MFCD28501543
Product Description
Catalog Number:
AG0026CA
Chemical Name:
1H-Indazole-3,5-dicarboxylic acid, 6-methyl-, 3,5-dimethyl ester
CAS Number:
1788041-62-2
Molecular Formula:
C12H12N2O4
Molecular Weight:
248.2347
MDL Number:
MFCD28501543
IUPAC Name:
dimethyl 6-methyl-1H-indazole-3,5-dicarboxylate
InChI:
InChI=1S/C12H12N2O4/c1-6-4-9-8(5-7(6)11(15)17-2)10(14-13-9)12(16)18-3/h4-5H,1-3H3,(H,13,14)
InChI Key:
IENUJCRRILKSAA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(cc1C)[nH]nc2C(=O)OC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.238g/mol
Monoisotopic Mass:
248.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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