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114293-16-2 | 8-Octadecenedioic acid, 11-ethenyl-
CAS No: 114293-16-2 Catalog No: AG000B0B MDL No:
Product Description
Catalog Number:
AG000B0B
Chemical Name:
8-Octadecenedioic acid, 11-ethenyl-
CAS Number:
114293-16-2
Molecular Formula:
C20H34O4
Molecular Weight:
338.4816
IUPAC Name:
11-ethenyloctadec-8-enedioic acid
InChI:
InChI=1S/C20H34O4/c1-2-18(15-11-8-9-13-17-20(23)24)14-10-6-4-3-5-7-12-16-19(21)22/h2,6,10,18H,1,3-5,7-9,11-17H2,(H,21,22)(H,23,24)
InChI Key:
DKCJKFHNHRGGHU-UHFFFAOYSA-N
SMILES:
C=CC(CC=CCCCCCCC(=O)O)CCCCCCC(=O)O
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.246g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.488g/mol
Monoisotopic Mass:
338.246g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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