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Basic information
- Standard SMILES
O=C(O)C1OC1c1ccccc1- InChIKey
HALONVPKHYIEQU-UHFFFAOYSA-N- Molecular formula
- C9H8O3
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.04734411
Names & identifiers
- Preferred name
- 3-Phenyloxirane-2-carboxylic acid
- IUPAC
- 3-phenyloxirane-2-carboxylic acid
Names & synonyms
3-phenyloxirane-2-carboxylic acid5694-02-0Oxiranecarboxylic acid, 3-phenyl- (9CI)3-phenyl-2-oxiranecarboxylic acid(2R,3S)-rel-3-Phenyl-2-oxiranecarboxylic acid1566-68-32,3-Epoxy-3-phenylpropionic acidss-Phenyl-glycidsaureNCIOpen2_001180NCIOpen2_004482SCHEMBL2533818CHEBI:177967
Show more names
Oxiranecarboxylic acid, 3-phenyl-3-phenyl-oxirane-2-carboxylic acidMFCD03624152AKOS015905634PD135985DB-288375
Database identifiers
- PubChem CID
- 415606
- ChEBI
CHEBI:177967- Nikkaji
- J8.049G
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Related reactions
1 records
Compound notes
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