Basic information
- CAS
71850-80-1- Standard SMILES
CCCCCCC(CC)=C(C)C(=O)O- InChIKey
ZVAYQRYFPRUYPL-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 2-Methyl-3-ethyl-2-nonenoic acid
- IUPAC
- 3-ethyl-2-methylnon-2-enoic acid
Names & synonyms
71850-80-12-Methyl-3-ethyl-2-nonenoic acidSCHEMBL148743NS00012430
Database identifiers
- CAS
71850-80-1- PubChem CID
- 166192
- DTXSID
DTXSID4072447- EC Number
- 276-098-6
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Nonenoic acid, 3-ethyl-2-methyl-
Other Safety InformationIMAP assessments - 2-Nonenoic acid, 3-ethyl-2-methyl-: Human health tier I assessment
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Nonenoic acid, 3-ethyl-2-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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