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1190312-46-9 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6,7-dihydro-6-oxo-, methyl ester
CAS No: 1190312-46-9 Catalog No: AG000HJV MDL No:
Product Description
Catalog Number:
AG000HJV
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxylic acid, 6,7-dihydro-6-oxo-, methyl ester
CAS Number:
1190312-46-9
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
methyl 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-4-carboxylate
InChI:
InChI=1S/C9H8N2O3/c1-14-9(13)6-4-7(12)11-8-5(6)2-3-10-8/h2-4H,1H3,(H2,10,11,12)
InChI Key:
PIUPACLFYMBVNZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(=O)[nH]c2c1cc[nH]2
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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