3-Cyclopentene-1,2-diol
Basic information
- CAS
40459-97-0- Standard SMILES
OC1C=CCC1O- InChIKey
VQWAZBMRMSMLPG-UHFFFAOYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.05242949
Names & identifiers
- Preferred name
- 3-Cyclopentene-1,2-diol
- IUPAC
- cyclopent-3-ene-1,2-diol
- English name
- (1R,2S)-3-Cyclopentene-1,2-diol
- Molecular formula
- C5H8O2
- Molecular weight
- 100.12
Names & synonyms
3-Cyclopentene-1,2-diol40459-97-0DTXSID90339639RefChem:278818DTXCID80290720cyclopent-3-ene-1,2-diol(1R,2S)-3-Cyclopentene-1,2-diolCyclopenten-3,4-diolSCHEMBL1682696SCHEMBL114462033-cyclopentene 1,2-diol3-Cyclopentene-1β,2β-diol
Show more names
(1S)-3-Cyclopentene-1α,2α-diol
Database identifiers
- CAS
40459-97-0- PubChem CID
- 557495
- DTXSID
DTXSID90339639- Nikkaji
- J89.359E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 88.1
Physicochemical properties
- Boiling point
- 90 °C · <90 °C(Press: 0.5 Torr)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 14.14 · 14.14±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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