1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol
Basic information
- CAS
6052-61-5- Standard SMILES
C=CCC(O)c1ccc2c(c1)OCO2- InChIKey
QFBKADULYGBKQY-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)but-3-en-1-ol
- IUPAC
- 1-(1,3-benzodioxol-5-yl)but-3-en-1-ol
Names & synonyms
6052-61-51-(1,3-benzodioxol-5-yl)but-3-en-1-olDTXSID10278319RefChem:222298DTXCID602294771-(Benzo[d][1,3]dioxol-5-yl)but-3-en-1-olMFCD162933574-[3,4-(Methylenedioxy)phenyl]-1-buten-4-olNSC70101-(2H-1,3-BENZODIOXOL-5-YL)BUT-3-EN-1-OLNSC-7010AKOS017516038
Show more names
alpha-2-Propen-1-yl-1,3-benzodioxole-5-methanolF400176
Database identifiers
- CAS
6052-61-5- PubChem CID
- 221899
- DTXSID
DTXSID10278319- Nikkaji
- J677.759G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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