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1190310-86-1 | 1H-Pyrrolo[2,3-b]pyridine-3,4-dicarboxylic acid, 4-methyl ester
CAS No: 1190310-86-1 Catalog No: AG000HGS MDL No:
Product Description
Catalog Number:
AG000HGS
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3,4-dicarboxylic acid, 4-methyl ester
CAS Number:
1190310-86-1
Molecular Formula:
C10H7N2O4-
Molecular Weight:
219.1736
IUPAC Name:
4-methoxycarbonyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C10H8N2O4/c1-16-10(15)5-2-3-11-8-7(5)6(4-12-8)9(13)14/h2-4H,1H3,(H,11,12)(H,13,14)
InChI Key:
BKYCYFVXFDSWAI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccnc2c1c(c[nH]2)C(=O)[O-]
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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