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1190318-88-7 | 1H-Pyrrolo[2,3-c]pyridine-3,7-dicarboxylic acid
CAS No: 1190318-88-7 Catalog No: AG000HT7 MDL No:
Product Description
Catalog Number:
AG000HT7
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3,7-dicarboxylic acid
CAS Number:
1190318-88-7
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
IUPAC Name:
1H-pyrrolo[2,3-c]pyridine-3,7-dicarboxylic acid
InChI:
InChI=1S/C9H6N2O4/c12-8(13)5-3-11-6-4(5)1-2-10-7(6)9(14)15/h1-3,11H,(H,12,13)(H,14,15)
InChI Key:
LGRYUOLAMKMBCL-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1ccnc2C(=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:
0.4
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