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83826-18-0 | 4-(diethylamino) (2-dodecenyl)-4-oxo-Butanoic acid
CAS No: 83826-18-0 Catalog No: AG004VWP MDL No:
Product Description
Catalog Number:
AG004VWP
Chemical Name:
4-(diethylamino) (2-dodecenyl)-4-oxo-Butanoic acid
CAS Number:
83826-18-0
Molecular Formula:
C20H37NO3
Molecular Weight:
339.5127
IUPAC Name:
2-[2-(diethylamino)-2-oxoethyl]tetradec-4-enoic acid
InChI:
InChI=1S/C20H37NO3/c1-4-7-8-9-10-11-12-13-14-15-16-18(20(23)24)17-19(22)21(5-2)6-3/h14-15,18H,4-13,16-17H2,1-3H3,(H,23,24)
InChI Key:
QCTQPOCKQMMSMP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC=CCC(C(=O)O)CC(=O)N(CC)CC
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.277g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.52g/mol
Monoisotopic Mass:
339.277g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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