Basic information
- Standard SMILES
OCC12COCCC1O2- InChIKey
AQVKZNFJSSGPCO-UHFFFAOYSA-N- Molecular formula
- C6H10O3
- Average molar mass
- 130.14 g/mol
- Monoisotopic mass
- 130.06299418
Names & identifiers
- Preferred name
- (3,7-Dioxa-bicyclo[4.1.0]hept-1-yl)-methanol
- IUPAC
- 3,7-dioxabicyclo[4.1.0]heptan-1-ylmethanol
Names & synonyms
SCHEMBL7206592AQVKZNFJSSGPCO-UHFFFAOYSA-N(3,7-dioxa-bicyclo[4.1.0]hept-1-yl)-methanol
Database identifiers
- PubChem CID
- 18172034
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Related reactions
1 records
Compound notes
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