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79757-29-2 | 2-(pyridin-4-yl)propanenitrile
CAS No: 79757-29-2 Catalog No: AG019TPT MDL No:MFCD11641459
Product Description
Catalog Number:
AG019TPT
Chemical Name:
2-(pyridin-4-yl)propanenitrile
CAS Number:
79757-29-2
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD11641459
IUPAC Name:
2-pyridin-4-ylpropanenitrile
InChI:
InChI=1S/C8H8N2/c1-7(6-9)8-2-4-10-5-3-8/h2-5,7H,1H3
InChI Key:
QXJBQWWXUDNBSF-UHFFFAOYSA-N
SMILES:
CC(c1ccncc1)C#N
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.069g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.166g/mol
Monoisotopic Mass:
132.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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