2-(2-Acetoxypropyl)naphthalene

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Basic information

CAS: 27650-90-4
Standard SMILES: CC(=O)OC(C)Cc1ccc2ccccc2c1
InChIKey: IUWKSAMUABAFKB-UHFFFAOYSA-N
Molecular formula: C15H16O2
Average molar mass: 228.29 g/mol
Monoisotopic mass: 228.11502975

Names & identifiers

Preferred name: 2-(2-Acetoxypropyl)naphthalene
IUPAC: 1-naphthalen-2-ylpropan-2-yl acetate

Names & synonyms

2-(2-acetoxypropyl)naphthaleneSCHEMBL9127416IUWKSAMUABAFKB-UHFFFAOYSA-NDTXSID6012689461-(Naphthalen-2-yl)propan-2-yl acetate27650-90-42-Naphthaleneethanol, I+/--methyl-, 2-acetate

Database identifiers

CAS: 27650-90-4
PubChem CID: 19933745
DTXSID: DTXSID601268946

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 262

Related reactions

1 records

New reaction record

HRID 21357As productuspto-grants-1995_06

Compound notes

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