sorbic acid
precursor
Showing entry for sorbic acid
Identification
- PhytoHub ID
- PHUB002858
- Name
- sorbic acid
- Systematic Name
- Not Available
- Synonyms
- (2-butenylidene) acetic acid
- 1,3-Pentadiene-1-carboxylic acid
- 2-propenylacrylic acid
- 2,4-Hexadienoic acid
- CAS Number
- 22500-92-1
- Average Mass
- 112.128
- Monoisotopic Mass
- 112.052429498
- Chemical Formula
- C6H8O2
- IUPAC Name
- Not Available
- InChI Key
- WSWCOQWTEOXDQX-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)
- SMILES
[H]C(C)=CC([H])=CC(O)=O
- Structure
Structure for sorbic acid
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
No external links
Taxonomy as Food Phytochemical
- Family
- Not Available
- Class
- Not Available
- Sub-class
- Not Available
Spectra from Online Resources
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| European plum | Fruit, Drupes | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available