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114261-79-9 | 2-Propen-1-one, 3-(dimethylamino)-1-(3-phenyl-2-oxiranyl)-
CAS No: 114261-79-9 Catalog No: AG000AX2 MDL No:
Product Description
Catalog Number:
AG000AX2
Chemical Name:
2-Propen-1-one, 3-(dimethylamino)-1-(3-phenyl-2-oxiranyl)-
CAS Number:
114261-79-9
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
3-(dimethylamino)-1-(3-phenyloxiran-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C13H15NO2/c1-14(2)9-8-11(15)13-12(16-13)10-6-4-3-5-7-10/h3-9,12-13H,1-2H3
InChI Key:
QCNWOSXKZPSETQ-UHFFFAOYSA-N
SMILES:
CN(C=CC(=O)C1OC1c1ccccc1)C
Properties
Complexity:
280
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:
32.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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