Basic information
- CAS
1498-80-2- Standard SMILES
CC(C)c1c2ccccc2cc2ccccc12- InChIKey
LQRJPEHNMOASNZ-UHFFFAOYSA-N- Molecular formula
- C17H16
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.12520051
Names & identifiers
- Preferred name
- 9-Isopropylanthracene
- IUPAC
- 9-propan-2-ylanthracene
Names & synonyms
9-Isopropyl Anthracene9-Isopropylanthracene1498-80-29-Isopropylanthracen9-Isopropylanthracene #SCHEMBL40806SCHEMBL27462355Anthracene, 9-(1-methylethyl)-LQRJPEHNMOASNZ-UHFFFAOYSA-NAKOS024342163
Database identifiers
- CAS
1498-80-2- PubChem CID
- 609656
- EC Number
- 104-231-9
- Nikkaji
- J337.999J
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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