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(E) -Dec-2-Enoic Acid

CAT: 0127-OR1026767-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
334-49-6
Synonyms
(E) -dec-2-enoic acid
Purity
98%
Smiles
CCCCCCC/C=C/C(=O)O

Chemical Information

trans-2-Decenoic acid

Trans-2-decenoic acid is a 2-decenoic acid having its double bond in the trans configuration. It is an intermediate metabolite in the fatty acid synthesis. It has a role as a human metabolite. It is a conjugate acid of a (2E)-decenoate.

CAS Number334-49-6
PubChem CID5282724
IUPAC Name(E)-dec-2-enoic acid
Molecular FormulaC10H18O2
Molecular Weight170.25
XLogP3.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count12
Formal Charge0
Complexity139
SMILES
CCCCCCC/C=C/C(=O)O
InChI
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3,(H,11,12)/b9-8+
InChIKey
WXBXVVIUZANZAU-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of trans-2-Decenoic acid
CAS: 334-49-6
CID: 5282724
Formula: C10H18O2
MW: 170.25
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.25
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass170.130679813
Monoisotopic Mass170.130679813
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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