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Home > Pyridines > 554453-19-9
554453-19-9 | 1H-Pyrrolo[3,2-b]pyridine-3-acetonitrile
CAS No: 554453-19-9 Catalog No: AG00DJOT MDL No:MFCD13189580
Product Description
Catalog Number:
AG00DJOT
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-acetonitrile
CAS Number:
554453-19-9
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD13189580
IUPAC Name:
2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetonitrile
InChI:
InChI=1S/C9H7N3/c10-4-3-7-6-12-8-2-1-5-11-9(7)8/h1-2,5-6,12H,3H2
InChI Key:
DBEHPSDNEHUNLN-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1nccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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