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2947-60-6 | Benzeneacetonitrile, 3-methyl-
CAS No: 2947-60-6 Catalog No: AG002YI4 MDL No:MFCD00001914
Product Description
Catalog Number:
AG002YI4
Chemical Name:
Benzeneacetonitrile, 3-methyl-
CAS Number:
2947-60-6
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00001914
IUPAC Name:
2-(3-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H9N/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7H,5H2,1H3
InChI Key:
WOJADIOTNFDWNQ-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)C
EC Number:
220-962-7
NSC Number:
20695
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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