Basic information
- CAS
17581-86-1- Standard SMILES
OCC=Cc1ccc2c(c1)OCO2- InChIKey
JQZASRHQYJJUCE-UHFFFAOYSA-N- Molecular formula
- C10H10O3
- Average molar mass
- 178.18 g/mol
- Monoisotopic mass
- 178.06299418
Overview
3-(2H-1,3-benzodioxol-5-yl)prop-2-en-1-ol has been reported in Boronia pinnata with data available.
Names & identifiers
- Preferred name
- 3-(1,3-Benzodioxol-5-yl)prop-2-en-1-ol
- IUPAC
- 3-(1,3-benzodioxol-5-yl)prop-2-en-1-ol
Names & synonyms
3-(1,3-benzodioxol-5-yl)prop-2-en-1-ol3-(2H-1,3-benzodioxol-5-yl)prop-2-en-1-olSCHEMBL2453908DTXSID901285155ICA09576AKOS0174049583-(1,3-Benzodioxol-5-yl)-2-propen-1-ol
Database identifiers
- CAS
17581-86-1- PubChem CID
- 95503
- DTXSID
DTXSID901285155
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 191
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…