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1190312-50-5 | 1H-Pyrrolo[2,3-b]pyridine-4,6-dicarboxylic acid, 4,6-dimethyl ester
CAS No: 1190312-50-5 Catalog No: AG000P4D MDL No:
Product Description
Catalog Number:
AG000P4D
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4,6-dicarboxylic acid, 4,6-dimethyl ester
CAS Number:
1190312-50-5
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
IUPAC Name:
dimethyl 1H-pyrrolo[2,3-b]pyridine-4,6-dicarboxylate
InChI:
InChI=1S/C11H10N2O4/c1-16-10(14)7-5-8(11(15)17-2)13-9-6(7)3-4-12-9/h3-5H,1-2H3,(H,12,13)
InChI Key:
KZWUAXQHBFQKHO-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2[nH]ccc2c(c1)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:
1.4
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