Basic information
- Standard SMILES
Cc1ccc(C)c2c1OCO2- InChIKey
JNCHBYXOCCZJHP-UHFFFAOYSA-N- Molecular formula
- C9H10O2
- Average molar mass
- 150.17 g/mol
- Monoisotopic mass
- 150.06807956
Names & identifiers
- Preferred name
- 4,7-Dimethyl-1,3-benzodioxole
- IUPAC
- 4,7-dimethyl-1,3-benzodioxole
Names & synonyms
1,3-Benzodioxole, 4,7-dimethyl-74131-59-2SCHEMBL61278064,7-dimethyl-1,3-benzodioxoleJNCHBYXOCCZJHP-UHFFFAOYSA-NDB-278881
Database identifiers
- PubChem CID
- 12580985
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Related reactions
4 records
Compound notes
Loading…