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7548-13-2 | 2,6,10-Dodecatrienoicacid, 3,7,11-trimethyl-
CAS No: 7548-13-2 Catalog No: AG005KQ9 MDL No:
Product Description
Catalog Number:
AG005KQ9
Chemical Name:
2,6,10-Dodecatrienoicacid, 3,7,11-trimethyl-
CAS Number:
7548-13-2
Molecular Formula:
C15H24O2
Molecular Weight:
236.3499
IUPAC Name:
3,7,11-trimethyldodeca-2,6,10-trienoic acid
InChI:
InChI=1S/C15H24O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h7,9,11H,5-6,8,10H2,1-4H3,(H,16,17)
InChI Key:
WJHFZYAELPOJIV-UHFFFAOYSA-N
SMILES:
CC(=CCCC(=CC(=O)O)C)CCC=C(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.355g/mol
Monoisotopic Mass:
236.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5
Literature
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