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2-Hexadecenoic Acid

CAT: 0024-sc-288121Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-288121Size:1 g
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CAS Number
629-56-1

Chemical Information

Hexadecenoic Acid

(E)-hexadec-2-enoic acid is a hexadecenoic acid having a trans-double bond at the 2-position. It has a role as a metabolite. It is a hexadecenoic acid and an alpha,beta-unsaturated monocarboxylic acid. It is a conjugate acid of an (E)-hexadec-2-enoate.

CAS Number629-56-1
PubChem CID5282743
IUPAC Name(E)-hexadec-2-enoic acid
Molecular FormulaC16H30O2
Molecular Weight254.41
XLogP7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity209
SMILES
CCCCCCCCCCCCC/C=C/C(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+
InChIKey
ZVRMGCSSSYZGSM-CCEZHUSRSA-N
Chemical Structure
2D Structure
2D structure of Hexadecenoic Acid
CAS: 629-56-1
CID: 5282743
Formula: C16H30O2
MW: 254.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.41
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass254.224580195
Monoisotopic Mass254.224580195
Topological Polar Surface Area37.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity209
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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