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113522-19-3 | Benzenebutanenitrile, 2-methoxy-γ-oxo-
CAS No: 113522-19-3 Catalog No: AG0008VJ MDL No:MFCD07700096
Product Description
Catalog Number:
AG0008VJ
Chemical Name:
Benzenebutanenitrile, 2-methoxy-γ-oxo-
CAS Number:
113522-19-3
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD07700096
IUPAC Name:
4-(2-methoxyphenyl)-4-oxobutanenitrile
InChI:
InChI=1S/C11H11NO2/c1-14-11-7-3-2-5-9(11)10(13)6-4-8-12/h2-3,5,7H,4,6H2,1H3
InChI Key:
YZDPMHCJJPNPAB-UHFFFAOYSA-N
SMILES:
N#CCCC(=O)c1ccccc1OC
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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