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(Z) -2-Octenoic acid

CAT: 0013-GTR19221624-01Size: 5 mgDry Ice: NoHazardous: No
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Description
Z-2-Octenoic acid, the trans-isomer of 2-octenoic acid, is a fungal metabolite identified in Mucor species. It is utilized in research on microbial metabolism and serves as a biochemical tool for in vitro studies of fatty acid derivatives and their biological activities.
CAS Number
1577-96-4
Field of Research
Metabolism Research
Smiles
CCCCC\C=C/C (O) =O
Molecular Formula
C8H14O2
Molecular Weight
142.20
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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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