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951886-13-8 | Ethyl 7-[4-(N,N-Diethylamino)phenyl]-7-oxoheptanoate
CAS No: 951886-13-8 Catalog No: AG01F8NG MDL No:
Product Description
Catalog Number:
AG01F8NG
Chemical Name:
Ethyl 7-[4-(N,N-Diethylamino)phenyl]-7-oxoheptanoate
CAS Number:
951886-13-8
Molecular Formula:
C19H29NO3
Molecular Weight:
319.4385
IUPAC Name:
ethyl 7-[4-(diethylamino)phenyl]-7-oxoheptanoate
InChI:
InChI=1S/C19H29NO3/c1-4-20(5-2)17-14-12-16(13-15-17)18(21)10-8-7-9-11-19(22)23-6-3/h12-15H,4-11H2,1-3H3
InChI Key:
FERWMTNKQCKFFP-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCC(=O)c1ccc(cc1)N(CC)CC
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.215g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.445g/mol
Monoisotopic Mass:
319.215g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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