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1000340-46-4 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-cyano-
CAS No: 1000340-46-4 Catalog No: AG0000DO MDL No:MFCD09880139
Product Description
Catalog Number:
AG0000DO
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-cyano-
CAS Number:
1000340-46-4
Molecular Formula:
C9H5N3O2
Molecular Weight:
187.1549
MDL Number:
MFCD09880139
IUPAC Name:
4-cyano-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H5N3O2/c10-3-5-1-2-11-8-7(5)6(4-12-8)9(13)14/h1-2,4H,(H,11,12)(H,13,14)
InChI Key:
RMWDOEYDAZDORR-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc2c1c(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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