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114460-42-3 | 7,9-Octadecadienedioic acid, 6-oxo-, (E,Z)- (9CI)
CAS No: 114460-42-3 Catalog No: AG000EG5 MDL No:
Product Description
Catalog Number:
AG000EG5
Chemical Name:
7,9-Octadecadienedioic acid, 6-oxo-, (E,Z)- (9CI)
CAS Number:
114460-42-3
Molecular Formula:
C18H28O5
Molecular Weight:
324.4119
IUPAC Name:
6-oxooctadeca-7,9-dienedioic acid
InChI:
InChI=1S/C18H28O5/c19-16(13-10-11-15-18(22)23)12-8-6-4-2-1-3-5-7-9-14-17(20)21/h4,6,8,12H,1-3,5,7,9-11,13-15H2,(H,20,21)(H,22,23)
InChI Key:
OQIQBYKMKFARLM-UHFFFAOYSA-N
SMILES:
O=C(/C=C/C=C\CCCCCCCC(=O)O)CCCCC(=O)O
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.417g/mol
Monoisotopic Mass:
324.194g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.5
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