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102250-17-9 | Tetratriacontahexaenoic acid, (?Z,?Z,?Z,?Z,?Z,?Z)-
CAS No: 102250-17-9 Catalog No: AG00071Q MDL No:
Product Description
Catalog Number:
AG00071Q
Chemical Name:
Tetratriacontahexaenoic acid, (?Z,?Z,?Z,?Z,?Z,?Z)-
CAS Number:
102250-17-9
Molecular Formula:
C34H56O2
Molecular Weight:
496.8072
IUPAC Name:
tetratriaconta-2,4,6,8,10,12-hexaenoic acid
InChI:
InChI=1S/C34H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h22-33H,2-21H2,1H3,(H,35,36)
InChI Key:
IJYBHDGRRVVDCR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCC/C=C\C=C/C=C\C=C/C=C\C=C/C(=O)O
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
496.428g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
496.82g/mol
Monoisotopic Mass:
496.428g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
6
XLogP3:
14.6
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