Basic information
- CAS
13119-86-3- Standard SMILES
Cc1cc2ccc3ccc4ccc5ccc6ccc1c1c6c5c4c3c21- InChIKey
NYAQPDBIWGCXLE-UHFFFAOYSA-N- Molecular formula
- C25H14
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.10955045
Names & identifiers
- Preferred name
- Coronene, methyl-
- IUPAC
- 1-methylcoronene
- English name
- 1-METHYLCORONENE
- Molecular formula
- C25H14
- Molecular weight
- 314.38
Names & synonyms
Coronene, methyl-MethylcoroneneFI3Q0399JUUNII-FI3Q0399JUDTXSID40156939RefChem:200244DTXCID9079430NYAQPDBIWGCXLE-UHFFFAOYSA-N1-Methylcoronene13119-86-3Coronene, 1-methyl-1-Methylcoronene #
Show more names
1-Methylcoronene in DMSO1-Methylcoronene in toluene
SCHEMBL1340954SCHEMBL30161210
Database identifiers
- CAS
13119-86-3- PubChem CID
- 628783
- DTXSID
DTXSID40156939- UNII
- FI3Q0399JU
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- FDA UNII
- 3 Q0399JU · FI3Q0399JU
Chemistry & industry
Suppliers1 total
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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