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28833-56-9 | 10-Octadecenoic acid, 9,12-dioxo-, (E)- (8CI,9CI)
CAS No: 28833-56-9 Catalog No: AG002WPL MDL No:
Product Description
Catalog Number:
AG002WPL
Chemical Name:
10-Octadecenoic acid, 9,12-dioxo-, (E)- (8CI,9CI)
CAS Number:
28833-56-9
Molecular Formula:
C18H30O4
Molecular Weight:
310.4284
IUPAC Name:
9,12-dioxooctadec-10-enoic acid
InChI:
InChI=1S/C18H30O4/c1-2-3-4-8-11-16(19)14-15-17(20)12-9-6-5-7-10-13-18(21)22/h14-15H,2-13H2,1H3,(H,21,22)
InChI Key:
WYLMMQRVMQAKNJ-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)/C=C/C(=O)CCCCCCCC(=O)O
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.214g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.434g/mol
Monoisotopic Mass:
310.214g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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