Basic information
- CAS
19345-99-4- Standard SMILES
CC1=Cc2cccc3cccc1c23- InChIKey
QALUZRZBRMSBPM-UHFFFAOYSA-N- Molecular formula
- C13H10
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.07825032
Names & identifiers
- Preferred name
- 1-Methylacenaphthylene
- IUPAC
- 1-methylacenaphthylene
- English name
- methylacenaphthylene
- Molecular formula
- C13H10
- Molecular weight
- 166.2185
Names & synonyms
1-MethylacenaphthyleneMethylacenaphthyleneAcenaphthylene, 1-methyl-Acenaphthylene, 1-methyl58548-38-2T7KI1VCR1219345-99-4Acenaphthylene, methyl-UNII-T7KI1VCR12EINECS 261-322-7methyl acenaphthyleneSCHEMBL133154
Show more names
SCHEMBL133155SCHEMBL18317477DTXSID401017751DB-308411NS00033952Q27289774
Database identifiers
- CAS
19345-99-4、58548-38-2- PubChem CID
- 42772
- DTXSID
DTXSID401017751- UNII
- T7KI1VCR12
- EC Number
- 261-322-7
- Nikkaji
- J330.546E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- FDA UNII
- 7 KI1VCR12 · T7KI1VCR12
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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