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1190316-14-3 | 1H-Pyrrolo[3,2-b]pyridine-3,6-dicarboxylic acid
CAS No: 1190316-14-3 Catalog No: AG000HPD MDL No:
Product Description
Catalog Number:
AG000HPD
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3,6-dicarboxylic acid
CAS Number:
1190316-14-3
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
IUPAC Name:
1H-pyrrolo[3,2-b]pyridine-3,6-dicarboxylic acid
InChI:
InChI=1S/C9H6N2O4/c12-8(13)4-1-6-7(11-2-4)5(3-10-6)9(14)15/h1-3,10H,(H,12,13)(H,14,15)
InChI Key:
DEZDWGNIKQPEDZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cnc2c(c1)[nH]cc2C(=O)O
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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