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114145-11-8 | 2-Hexenoic acid, 9,10-dioxooctadecyl ester, (E)- (9CI)
CAS No: 114145-11-8 Catalog No: AG000ANG MDL No:
Product Description
Catalog Number:
AG000ANG
Chemical Name:
2-Hexenoic acid, 9,10-dioxooctadecyl ester, (E)- (9CI)
CAS Number:
114145-11-8
Molecular Formula:
C24H42O4
Molecular Weight:
394.5879
IUPAC Name:
9,10-dioxooctadecyl hex-2-enoate
InChI:
InChI=1S/C24H42O4/c1-3-5-7-8-11-15-18-22(25)23(26)19-16-12-9-10-13-17-21-28-24(27)20-14-6-4-2/h14,20H,3-13,15-19,21H2,1-2H3
InChI Key:
LMPYNBCHKLEKNQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)C(=O)CCCCCCCCOC(=O)/C=C/CCC
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.308g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
394.596g/mol
Monoisotopic Mass:
394.308g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.4
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