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85924-31-8 | (5Z,8Z,11Z,14Z)-7,7-dimethylicosa-5,8,11,14-tetraenoic acid
CAS No: 85924-31-8 Catalog No: AG004MST MDL No:
Product Description
Catalog Number:
AG004MST
Chemical Name:
(5Z,8Z,11Z,14Z)-7,7-dimethylicosa-5,8,11,14-tetraenoic acid
CAS Number:
85924-31-8
Molecular Formula:
C22H36O2
Molecular Weight:
332.5200
IUPAC Name:
7,7-dimethylicosa-5,8,11,14-tetraenoic acid
InChI:
InChI=1S/C22H36O2/c1-4-5-6-7-8-9-10-11-12-13-16-19-22(2,3)20-17-14-15-18-21(23)24/h8-9,11-12,16-17,19-20H,4-7,10,13-15,18H2,1-3H3,(H,23,24)
InChI Key:
KTUDAVANECCTPK-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\C/C=C\C/C=C\C(/C=C\CCCC(=O)O)(C)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.272g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.528g/mol
Monoisotopic Mass:
332.272g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
7.2
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