Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)-
Basic information
- CAS
102832-13-3- Standard SMILES
CCC/C=C\COC(=O)C(C)O- InChIKey
CLRYHPFNHRAPPN-WAYWQWQTSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)-
- IUPAC
- [(Z)-hex-2-enyl] 2-hydroxypropanoate
Names & synonyms
Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)-102832-13-3RefChem:869206CLRYHPFNHRAPPN-WAYWQWQTSA-NDTXSID901364666
Database identifiers
- CAS
102832-13-3- PubChem CID
- 44149409
- DTXSID
DTXSID901364666
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 152
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: Propanoic acid, 2-hydroxy-, 2-hexenyl ester, (Z)-
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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