Basic information
- CAS
24902-02-1- Standard SMILES
CCCOC(=O)C1COc2ccccc2O1- InChIKey
GIWVWMBTCWHKMO-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- Propyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
- IUPAC
- propyl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
- English name
- 1,4-Benzodioxane-2-carboxylic acid propyl ester
- Molecular formula
- C12H14O4
- Molecular weight
- 222.24
Names & synonyms
24902-02-1DTXSID10947795PROPYL 2,3-DIHYDRO-1,4-BENZODIOXINE-2-CARBOXYLATERefChem:1097021DTXCID501376047AmlurePropyl 1,4-benzodioxan-2-carboxylateAI3-339511,4-BENZODIOXAN-2-CARBOXYLIC ACID, PROPYL ESTER1,4-Benzodioxin-2-carboxylic acid, 2,3-dihydro-, propyl esterSCHEMBL8102249AKOS008948092
Show more names
1,4-Benzodioxane-2-carboxylic acid propyl esterPropyl=2,3-dihydro-1,4-benzodioxin-2-carboxylate
Database identifiers
- CAS
24902-02-1- PubChem CID
- 32734
- DTXSID
DTXSID10947795- Nikkaji
- J35.613A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…