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1190311-47-7 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 5-cyano-
CAS No: 1190311-47-7 Catalog No: AG000HH8 MDL No:
Product Description
Catalog Number:
AG000HH8
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 5-cyano-
CAS Number:
1190311-47-7
Molecular Formula:
C9H5N3O2
Molecular Weight:
187.1549
IUPAC Name:
5-cyano-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H5N3O2/c10-3-5-1-2-7-8(12-5)6(4-11-7)9(13)14/h1-2,4,11H,(H,13,14)
InChI Key:
ZDTJGOZSZSGMEU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(n1)c(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:
0.6
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