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115210-36-1 | 8-Octadecenedioic acid, 11-ethenyl-8,11-dimethyl-
CAS No: 115210-36-1 Catalog No: AG000GGI MDL No:
Product Description
Catalog Number:
AG000GGI
Chemical Name:
8-Octadecenedioic acid, 11-ethenyl-8,11-dimethyl-
CAS Number:
115210-36-1
Molecular Formula:
C22H38O4
Molecular Weight:
366.5347
IUPAC Name:
11-ethenyl-8,11-dimethyloctadec-8-enedioic acid
InChI:
InChI=1S/C22H38O4/c1-4-22(3,17-12-8-7-11-15-21(25)26)18-16-19(2)13-9-5-6-10-14-20(23)24/h4,16H,1,5-15,17-18H2,2-3H3,(H,23,24)(H,25,26)
InChI Key:
MFDRUCYNVVQHKP-UHFFFAOYSA-N
SMILES:
C=CC(CC=C(CCCCCCC(=O)O)C)(CCCCCCC(=O)O)C
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.277g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.542g/mol
Monoisotopic Mass:
366.277g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
7
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