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18096-70-3 | 2-Propen-1-one, 3-(dimethylamino)-1-(4-methoxyphenyl)-
CAS No: 18096-70-3 Catalog No: AG0022II MDL No:MFCD00097914
Product Description
Catalog Number:
AG0022II
Chemical Name:
2-Propen-1-one, 3-(dimethylamino)-1-(4-methoxyphenyl)-
CAS Number:
18096-70-3
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD00097914
IUPAC Name:
3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C12H15NO2/c1-13(2)9-8-12(14)10-4-6-11(15-3)7-5-10/h4-9H,1-3H3
InChI Key:
FXNAUCNJLHEGGF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)C=CN(C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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