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951885-86-2 | Ethyl 6-[3-(N,N-Dimethylamino)phenyl]-6-oxohexanoate
CAS No: 951885-86-2 Catalog No: AG01F8ND MDL No:
Product Description
Catalog Number:
AG01F8ND
Chemical Name:
Ethyl 6-[3-(N,N-Dimethylamino)phenyl]-6-oxohexanoate
CAS Number:
951885-86-2
Molecular Formula:
C16H23NO3
Molecular Weight:
277.3587
IUPAC Name:
ethyl 6-[3-(dimethylamino)phenyl]-6-oxohexanoate
InChI:
InChI=1S/C16H23NO3/c1-4-20-16(19)11-6-5-10-15(18)13-8-7-9-14(12-13)17(2)3/h7-9,12H,4-6,10-11H2,1-3H3
InChI Key:
FDJFKYGNWYKXGI-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=O)c1cccc(c1)N(C)C
Properties
Complexity:
315
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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