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951886-07-0 | Ethyl 5-[4-(N,N-Diethylamino)phenyl]-5-oxovalerate
CAS No: 951886-07-0 Catalog No: AG01F953 MDL No:
Product Description
Catalog Number:
AG01F953
Chemical Name:
Ethyl 5-[4-(N,N-Diethylamino)phenyl]-5-oxovalerate
CAS Number:
951886-07-0
Molecular Formula:
C17H25NO3
Molecular Weight:
291.3853
IUPAC Name:
ethyl 5-[4-(diethylamino)phenyl]-5-oxopentanoate
InChI:
InChI=1S/C17H25NO3/c1-4-18(5-2)15-12-10-14(11-13-15)16(19)8-7-9-17(20)21-6-3/h10-13H,4-9H2,1-3H3
InChI Key:
MEMHXVFKUDPCHB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(=O)c1ccc(cc1)N(CC)CC
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.391g/mol
Monoisotopic Mass:
291.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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