1,3-Benzodioxole, 5-ethoxy-
Basic information
- CAS
87590-41-8- Standard SMILES
CCOc1ccc2c(c1)OCO2- InChIKey
CNIRPXHIBAQPHX-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 5-ethoxy-
- IUPAC
- 5-ethoxy-1,3-benzodioxole
Names & synonyms
1,3-Benzodioxole, 5-ethoxy-87590-41-8DTXSID30236491RefChem:217889DTXCID301589825-Ethoxybenzo[d][1,3]dioxole5-ethoxy-1,3-benzodioxole5-ethoxy-2H-1,3-benzodioxole5-ethoxy-benzo[1,3]dioxoleSCHEMBL984344SCHEMBL6483452SCHEMBL11039287
Show more names
SCHEMBL20561931CNIRPXHIBAQPHX-UHFFFAOYSA-NMFCD21608133SY309796DB-317621
Database identifiers
- CAS
87590-41-8- PubChem CID
- 159121
- DTXSID
DTXSID30236491- Nikkaji
- J640.049C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
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Related reactions
1 records
Compound notes
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