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(E, E) Farnesoic acid

CAT: 0926-AAA46211-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-AAA46211-01Size:25 mg
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CAS Number
462-11-3
Smiles
CC (=CCCC (=CCCC (=CC (=O) O) C) C) C
Molecular Formula
C15H24O2
Molecular Weight
236.35 g/mol
Controlled
No

Chemical Information

Farnesoic acid

Farnesoic acid is a methyl-branched, trienoic fatty acid consisting of dodeca-2,6,10-trienoic acid having three methyl substituents at the 3-, 7- and 11-positions. It has a role as a signalling molecule. It is a methyl-branched fatty acid, a trienoic fatty acid and an alpha,beta-unsaturated monocarboxylic acid. It is functionally related to a dodeca-2,6,10-trienoic acid.

CAS Number462-11-3
PubChem CID5275507
IUPAC Name(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoic acid
Molecular FormulaC15H24O2
Molecular Weight236.35
XLogP5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count17
Formal Charge0
Complexity329
SMILES
CC(=CCC/C(=C/CC/C(=C/C(=O)O)/C)/C)C
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)/b13-9+,14-11+
InChIKey
WJHFZYAELPOJIV-IJFRVEDASA-N
Chemical Structure
2D Structure
2D structure of Farnesoic acid
CAS: 462-11-3
CID: 5275507
Formula: C15H24O2
MW: 236.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.35
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass236.177630004
Monoisotopic Mass236.177630004
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity329
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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