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138716-53-7 | [1,1'-Biphenyl]-4-propanenitrile, α-[(dimethylamino)methylene]-β-oxo-
CAS No: 138716-53-7 Catalog No: AG001923 MDL No:MFCD03453103
Product Description
Catalog Number:
AG001923
Chemical Name:
[1,1'-Biphenyl]-4-propanenitrile, α-[(dimethylamino)methylene]-β-oxo-
CAS Number:
138716-53-7
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
MDL Number:
MFCD03453103
IUPAC Name:
3-(dimethylamino)-2-(4-phenylbenzoyl)prop-2-enenitrile
InChI:
InChI=1S/C18H16N2O/c1-20(2)13-17(12-19)18(21)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,1-2H3
InChI Key:
AYEFOUQDSVWIDL-UHFFFAOYSA-N
SMILES:
CN(C=C(C(=O)c1ccc(cc1)c1ccccc1)C#N)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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