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131117-90-3 | Benzonitrile, 4-(2-methoxybenzoyl)-
CAS No: 131117-90-3 Catalog No: AG000VJI MDL No:
Product Description
Catalog Number:
AG000VJI
Chemical Name:
Benzonitrile, 4-(2-methoxybenzoyl)-
CAS Number:
131117-90-3
Molecular Formula:
C15H11NO2
Molecular Weight:
237.2533
IUPAC Name:
4-(2-methoxybenzoyl)benzonitrile
InChI:
InChI=1S/C15H11NO2/c1-18-14-5-3-2-4-13(14)15(17)12-8-6-11(10-16)7-9-12/h2-9H,1H3
InChI Key:
JIHWLNLWBPKWMG-UHFFFAOYSA-N
SMILES:
COc1ccccc1C(=O)c1ccc(cc1)C#N
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.258g/mol
Monoisotopic Mass:
237.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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