Basic information
- CAS
667894-33-9- Standard SMILES
CC(=O)OC1CCc2ccccc2C1OC(C)=O- InChIKey
PWDTYDXUIYVSGG-UHFFFAOYSA-N- Molecular formula
- C14H16O4
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.10485899
Names & identifiers
- Preferred name
- 1,2-Diacetoxytetralin
- IUPAC
- (1-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl) acetate
- English name
- 1-(acetyloxy)-1,2,3,4-tetrahydro-2-naphthalenyl acetate
- Molecular formula
- C14H16O4
- Molecular weight
- 248.27444
Names & synonyms
1,2-DiacetoxytetralinSCHEMBL8923231(1-acetyloxy-1,2,3,4-tetrahydronaphthalen-2-yl) acetateAP-406/418857031-(acetyloxy)-1,2,3,4-tetrahydro-2-naphthalenyl acetate
Database identifiers
- CAS
667894-33-9- PubChem CID
- 523609
- Nikkaji
- J1.427.883D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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