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1190312-67-4 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 2,3-dihydro-6-methoxy-2-oxo-, methyl ester
CAS No: 1190312-67-4 Catalog No: AG000HJK MDL No:
Product Description
Catalog Number:
AG000HJK
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 2,3-dihydro-6-methoxy-2-oxo-, methyl ester
CAS Number:
1190312-67-4
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
IUPAC Name:
methyl 6-methoxy-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-4-carboxylate
InChI:
InChI=1S/C10H10N2O4/c1-15-8-4-6(10(14)16-2)5-3-7(13)11-9(5)12-8/h4H,3H2,1-2H3,(H,11,12,13)
InChI Key:
RPWDMDKYCPJUPS-UHFFFAOYSA-N
SMILES:
COc1nc2NC(=O)Cc2c(c1)C(=O)OC
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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