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117937-10-7 | Benzenebutanoic acid, 4-(dimethylamino)-γ-oxo-, ethyl ester
CAS No: 117937-10-7 Catalog No: AG000I69 MDL No:MFCD09801904
Product Description
Catalog Number:
AG000I69
Chemical Name:
Benzenebutanoic acid, 4-(dimethylamino)-γ-oxo-, ethyl ester
CAS Number:
117937-10-7
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
MDL Number:
MFCD09801904
IUPAC Name:
ethyl 4-[4-(dimethylamino)phenyl]-4-oxobutanoate
InChI:
InChI=1S/C14H19NO3/c1-4-18-14(17)10-9-13(16)11-5-7-12(8-6-11)15(2)3/h5-8H,4,9-10H2,1-3H3
InChI Key:
RXVGONBQPPYGOK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(cc1)N(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.136g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.31g/mol
Monoisotopic Mass:
249.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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