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80183-39-7 | 3,7,11-Tridecatrienoic acid, 4,8,12-trimethyl-, (Z,E)-
CAS No: 80183-39-7 Catalog No: AG0054DU MDL No:
Product Description
Catalog Number:
AG0054DU
Chemical Name:
3,7,11-Tridecatrienoic acid, 4,8,12-trimethyl-, (Z,E)-
CAS Number:
80183-39-7
Molecular Formula:
C16H26O2
Molecular Weight:
250.3764
IUPAC Name:
4,8,12-trimethyltrideca-3,7,11-trienoic acid
InChI:
InChI=1S/C16H26O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,17,18)
InChI Key:
FCINNSNPGOGNMQ-UHFFFAOYSA-N
SMILES:
OC(=O)C/C=C(\CC/C=C(/CCC=C(C)C)\C)/C
EC Number:
403-000-2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.193g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.382g/mol
Monoisotopic Mass:
250.193g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.1
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