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116169-86-9 | 9-Octadecenoic acid, 8,14-dioxo-, (E)- (9CI)
CAS No: 116169-86-9 Catalog No: AG000BT4 MDL No:
Product Description
Catalog Number:
AG000BT4
Chemical Name:
9-Octadecenoic acid, 8,14-dioxo-, (E)- (9CI)
CAS Number:
116169-86-9
Molecular Formula:
C18H30O4
Molecular Weight:
310.4284
IUPAC Name:
8,14-dioxooctadec-9-enoic acid
InChI:
InChI=1S/C18H30O4/c1-2-3-11-16(19)13-8-6-9-14-17(20)12-7-4-5-10-15-18(21)22/h9,14H,2-8,10-13,15H2,1H3,(H,21,22)
InChI Key:
WYVJFOZRDSHDDH-UHFFFAOYSA-N
SMILES:
CCCCC(=O)CCC/C=C/C(=O)CCCCCCC(=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:
3.3
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