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119644-50-7 | 1-Penten-3-one, 5-(dimethylamino)-4-methyl-1-phenyl-, (E)- (9CI)
CAS No: 119644-50-7 Catalog No: AG000PDT MDL No:
Product Description
Catalog Number:
AG000PDT
Chemical Name:
1-Penten-3-one, 5-(dimethylamino)-4-methyl-1-phenyl-, (E)- (9CI)
CAS Number:
119644-50-7
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
IUPAC Name:
5-(dimethylamino)-4-methyl-1-phenylpent-1-en-3-one
InChI:
InChI=1S/C14H19NO/c1-12(11-15(2)3)14(16)10-9-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3
InChI Key:
QOIPHPHWMYGCNJ-UHFFFAOYSA-N
SMILES:
CC(C(=O)/C=C/c1ccccc1)CN(C)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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