Basic information
- CAS
72939-63-0- Standard SMILES
C=CCOC(=O)C#CCCCCCC- InChIKey
LBOWPISEXWHMQT-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- 2-Nonynoic acid, 2-propen-1-yl ester
- IUPAC
- prop-2-enyl non-2-ynoate
- English name
- allyl non-2-ynoate
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27012
Names & synonyms
Allyl 2-nonynoate2-Nonynoic acid, 2-propenyl ester72939-63-0EINECS 277-111-82-Nonynoic acid, 2-propen-1-yl esterDTXSID7072678RefChem:477267DTXCID7047431Allyl non-2-ynoatePROP-2-EN-1-YL NON-2-YNOATESCHEMBL28522593LBOWPISEXWHMQT-UHFFFAOYSA-N
Show more names
2-Nonynoic acid 2-propenyl ester
NS00037443
Database identifiers
- CAS
72939-63-0- PubChem CID
- 166376
- DTXSID
DTXSID7072678- EC Number
- 277-111-8
- Nikkaji
- J296.422H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- LogP
- 4.463 · 4.463 (est)
- EPA Substance Registry System
- 2 · 2-Nonynoic acid, 2-propenyl ester (72939-63-0)
- TSCA
- TSCA listed
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-Nonynoic acid, 2-propenyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Nonynoic acid, 2-propen-1-yl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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