Basic information
- CAS
37707-77-0- Standard SMILES
CC(=O)c1ccc2cc3c(cc2c1)OCO3- InChIKey
IQAYPARGTDNEIB-UHFFFAOYSA-N- Molecular formula
- C13H10O3
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.06299418
Names & identifiers
- Preferred name
- 1-(Naphtho[2,3-d][1,3]dioxol-6-yl)ethanone
- IUPAC
- 1-benzo[f][1,3]benzodioxol-6-ylethanone
Names & synonyms
37707-77-0MLS0029202111-(naphtho[2,3-d][1,3]dioxol-6-yl)ethanoneNSC133607CHEMBL2359906DTXSID40299911MBA93489NSC-133607SMR0017978081-(2H-Naphtho[2,3-d][1,3]dioxol-6-yl)ethan-1-one
Database identifiers
- CAS
37707-77-0- PubChem CID
- 281102
- DTXSID
DTXSID40299911- ChEMBL
CHEMBL2359906
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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