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114049-98-8 | 2-Propanone, 1-(dimethylamino)-3-phenyl-
CAS No: 114049-98-8 Catalog No: AG000AEJ MDL No:MFCD12059410
Product Description
Catalog Number:
AG000AEJ
Chemical Name:
2-Propanone, 1-(dimethylamino)-3-phenyl-
CAS Number:
114049-98-8
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
MDL Number:
MFCD12059410
IUPAC Name:
1-(dimethylamino)-3-phenylpropan-2-one
InChI:
InChI=1S/C11H15NO/c1-12(2)9-11(13)8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChI Key:
ZADZABOQFDCRPL-UHFFFAOYSA-N
SMILES:
CN(CC(=O)Cc1ccccc1)C
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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