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1190320-22-9 | 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 4-cyano-
CAS No: 1190320-22-9 Catalog No: AG000HWS MDL No:
Product Description
Catalog Number:
AG000HWS
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, 4-cyano-
CAS Number:
1190320-22-9
Molecular Formula:
C9H5N3O2
Molecular Weight:
187.1549
IUPAC Name:
4-cyano-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H5N3O2/c10-1-5-2-11-4-7-8(5)6(3-12-7)9(13)14/h2-4,12H,(H,13,14)
InChI Key:
UPHZQTPXMHBFSA-UHFFFAOYSA-N
SMILES:
N#Cc1cncc2c1c(c[nH]2)C(=O)O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.158g/mol
Monoisotopic Mass:
187.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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