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1000557-13-0

1000557-13-0 | 4-Pyridineacetonitrile, 3-methyl-

CAS No: 1000557-13-0 Catalog No: AG0000QD MDL No:MFCD09924384

Product Description

Catalog Number:
AG0000QD
Chemical Name:
4-Pyridineacetonitrile, 3-methyl-
CAS Number:
1000557-13-0
Molecular Formula:
C8H8N2
Molecular Weight:
132.1625
MDL Number:
MFCD09924384
IUPAC Name:
2-(3-methylpyridin-4-yl)acetonitrile
InChI:
InChI=1S/C8H8N2/c1-7-6-10-5-3-8(7)2-4-9/h3,5-6H,2H2,1H3
InChI Key:
KGERRVJNMWHHNR-UHFFFAOYSA-N
SMILES:
N#CCc1ccncc1C

Properties

Complexity:
145  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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