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200214-25-1 | Benzeneacetonitrile, 3-methoxy-5-methyl-
CAS No: 200214-25-1 Catalog No: AG002CME MDL No:MFCD09924393
Product Description
Catalog Number:
AG002CME
Chemical Name:
Benzeneacetonitrile, 3-methoxy-5-methyl-
CAS Number:
200214-25-1
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD09924393
IUPAC Name:
2-(3-methoxy-5-methylphenyl)acetonitrile
InChI:
InChI=1S/C10H11NO/c1-8-5-9(3-4-11)7-10(6-8)12-2/h5-7H,3H2,1-2H3
InChI Key:
WVFKOKMJDKFCAR-UHFFFAOYSA-N
SMILES:
N#CCc1cc(OC)cc(c1)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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