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951885-80-6 | Ethyl 4-[3-(N,N-Dimethylamino)phenyl]-4-oxobutanoate
CAS No: 951885-80-6 Catalog No: AG01F8NC MDL No:
Product Description
Catalog Number:
AG01F8NC
Chemical Name:
Ethyl 4-[3-(N,N-Dimethylamino)phenyl]-4-oxobutanoate
CAS Number:
951885-80-6
Molecular Formula:
C14H19NO3
Molecular Weight:
249.3056
IUPAC Name:
ethyl 4-[3-(dimethylamino)phenyl]-4-oxobutanoate
InChI:
InChI=1S/C14H19NO3/c1-4-18-14(17)9-8-13(16)11-6-5-7-12(10-11)15(2)3/h5-7,10H,4,8-9H2,1-3H3
InChI Key:
YZYRRRNQYWZTKZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1cccc(c1)N(C)C
Properties
Complexity:
289
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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