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951886-04-7 | Ethyl 4-[4-(N,N-Diethylamino)phenyl]-4-oxobutanoate
CAS No: 951886-04-7 Catalog No: AG01F8WP MDL No:
Product Description
Catalog Number:
AG01F8WP
Chemical Name:
Ethyl 4-[4-(N,N-Diethylamino)phenyl]-4-oxobutanoate
CAS Number:
951886-04-7
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
IUPAC Name:
ethyl 4-[4-(diethylamino)phenyl]-4-oxobutanoate
InChI:
InChI=1S/C16H23NO3/c1-4-17(5-2)14-9-7-13(8-10-14)15(18)11-12-16(19)20-6-3/h7-10H,4-6,11-12H2,1-3H3
InChI Key:
BZAOIVGZJPYYBE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1ccc(cc1)N(CC)CC
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.364g/mol
Monoisotopic Mass:
277.168g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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