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138716-55-9 | Benzenepropanenitrile, α-[(dimethylamino)methylene]-3,4-dimethyl-β-oxo-
CAS No: 138716-55-9 Catalog No: AG001922 MDL No:MFCD03453107
Product Description
Catalog Number:
AG001922
Chemical Name:
Benzenepropanenitrile, α-[(dimethylamino)methylene]-3,4-dimethyl-β-oxo-
CAS Number:
138716-55-9
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
MDL Number:
MFCD03453107
IUPAC Name:
3-(dimethylamino)-2-(3,4-dimethylbenzoyl)prop-2-enenitrile
InChI:
InChI=1S/C14H16N2O/c1-10-5-6-12(7-11(10)2)14(17)13(8-15)9-16(3)4/h5-7,9H,1-4H3
InChI Key:
DVJLHUYEQFNZOF-UHFFFAOYSA-N
SMILES:
N#CC(=CN(C)C)C(=O)c1ccc(c(c1)C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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