Basic information
- CAS
25163-24-0- Standard SMILES
O=C1C(CO)=CC(O)C2OC12- InChIKey
VTLJDPHPVHSVGR-UHFFFAOYSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.04225873
Overview
See also: Epoxydon (annotation moved to).
Names & identifiers
- Preferred name
- 7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3-(hydroxymethyl)-
- IUPAC
- 5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
Names & synonyms
25163-24-05-Hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3-(hydroxymethyl)-Spheropsidin5831-38-9Epoxydon or EpiepoxydonMEGxm0_0004545,6-Epoxy-4-hydroxy-2-hydroxymethyl-2-cyclohexen-1-oneSCHEMBL11033662VTLJDPHPVHSVGR-UHFFFAOYSA-DTXSID90948023VTLJDPHPVHSVGR-UHFFFAOYSA-N
Show more names
BS-1599DB-2958725-Hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one #7-Oxabicyclo(4.1.0)hept-3-en-2-one, 5-hydroxy-3-(hydroxymethyl)-, stereoisomerInChI=1/C7H8O4/c8-2-3-1-4(9)6-7(11-6)5(3)10/h1,4,6-9H,2H2
Database identifiers
- CAS
25163-24-0- PubChem CID
- 185584
- DTXSID
DTXSID90948023- Nikkaji
- J146.982G
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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