2-Oxiranecarboxylic acid, 2-phenylethyl ester
Basic information
- CAS
68892-14-8- Standard SMILES
O=C(OCCc1ccccc1)C1CO1- InChIKey
UTNDVHQOMQAVKV-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 2-Oxiranecarboxylic acid, 2-phenylethyl ester
- IUPAC
- 2-phenylethyl oxirane-2-carboxylate
- English name
- 2-Oxiranecarboxylic acid 2-phenylethyl ester
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
Phenethyl glycidate68892-14-8Oxiranecarboxylic acid, 2-phenylethyl ester2-Oxiranecarboxylic acid, 2-phenylethyl esterDTXSID70887547RefChem:477587DTXCID5010268382-PHENYLETHYL OXIRANE-2-CARBOXYLATESCHEMBL20514350UTNDVHQOMQAVKV-UHFFFAOYSA-Nphenethyl oxirane-2-carboxylate2-Oxiranecarboxylic acid 2-phenylethyl ester
Database identifiers
- CAS
68892-14-8- PubChem CID
- 111404
- DTXSID
DTXSID70887547- Nikkaji
- J441.233H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- LogP
- 1.254 · 1.254 (est)
- EPA Substance Registry System
- 2 · Oxiranecarboxylic acid, 2-phenylethyl ester (68892-14-8)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Oxiranecarboxylic acid, 2-phenylethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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