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(Z) -2-Octenoic acid

CAT: 0931-T74028-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74028-01Size:5 mg
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CAS Number
1577-96-4
Target
Endogenous Metabolite, Others
Related Pathways
Metabolism, Others
Bioactivity
Z-2-Octenoic acid, the Z-isomer of 2-Octenoic acid, is also known as trans-2-Octenoic acid and serves as a metabolite in Mucor species.
Smiles
CCCCC\C=C/C(O)=O
Molecular Formula
C8H14O2
Molecular Weight
142.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Octenoic acid

Cis-alpha-octenoic acid is a medium-chain fatty acid.

CAS Number1577-96-4
PubChem CID5282713
IUPAC Name(Z)-oct-2-enoic acid
Molecular FormulaC8H14O2
Molecular Weight142.20
XLogP2.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity116
SMILES
CCCCC/C=C\C(=O)O
InChI
InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/b7-6-
InChIKey
CWMPPVPFLSZGCY-SREVYHEPSA-N
Chemical Structure
2D Structure
2D structure of 2-Octenoic acid
CAS: 1577-96-4
CID: 5282713
Formula: C8H14O2
MW: 142.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight142.20
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass142.099379685
Monoisotopic Mass142.099379685
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity116
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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