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825633-03-2 | 2-Propen-1-one, 1-(4-acetylphenyl)-3-(dimethylamino)-, (2E)-
CAS No: 825633-03-2 Catalog No: AG004YJ6 MDL No:
Product Description
Catalog Number:
AG004YJ6
Chemical Name:
2-Propen-1-one, 1-(4-acetylphenyl)-3-(dimethylamino)-, (2E)-
CAS Number:
825633-03-2
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
1-(4-acetylphenyl)-3-(dimethylamino)prop-2-en-1-one
InChI:
InChI=1S/C13H15NO2/c1-10(15)11-4-6-12(7-5-11)13(16)8-9-14(2)3/h4-9H,1-3H3
InChI Key:
CZJBANWWHTZACU-UHFFFAOYSA-N
SMILES:
CN(/C=C/C(=O)c1ccc(cc1)C(=O)C)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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