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10078-54-3 | 2-Propen-1-one, 3-(dimethylamino)-1-(3,4,5-trimethoxyphenyl)-
CAS No: 10078-54-3 Catalog No: AG0002VF MDL No:
Product Description
Catalog Number:
AG0002VF
Chemical Name:
2-Propen-1-one, 3-(dimethylamino)-1-(3,4,5-trimethoxyphenyl)-
CAS Number:
10078-54-3
Molecular Formula:
C14H19NO4
Molecular Weight:
265.3050
IUPAC Name:
3-(dimethylamino)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C14H19NO4/c1-15(2)7-6-11(16)10-8-12(17-3)14(19-5)13(9-10)18-4/h6-9H,1-5H3
InChI Key:
JIGZEKCEQRCNIS-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)C=CN(C)C
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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