Basic information
- CAS
67772-76-3- Standard SMILES
O=C1C(CO)=C[C@@H](O)[C@@H]2O[C@H]12- InChIKey
VTLJDPHPVHSVGR-PRMYIZFSSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.04225873
Names & identifiers
- Preferred name
- (1S,2R,6S)-2-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one
- IUPAC
- (1S,5R,6S)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
Names & synonyms
PJ4PK27L5KISOMER OF EPOXYDON 93049NSC 326233UNII-PJ4PK27L5K(1S,2R,6S)-2-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3-(hydroxymethyl)-, (1S,5R,6S)-
Database identifiers
- CAS
67772-76-3- PubChem CID
- 73055
- Nikkaji
- J3.601.190D
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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