Basic information
- CAS
24891-39-2- Standard SMILES
Cc1cc2c(C)c3ccccc3c(C)c2c2ccccc12- InChIKey
QCOYHXBAFQMVDF-UHFFFAOYSA-N- Molecular formula
- C21H18
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.14085057
Names & identifiers
- Preferred name
- 5,7,12-Trimethylbenz[a]anthracene
- IUPAC
- 5,7,12-trimethylbenzo[a]anthracene
Names & synonyms
5,7,12-Trimethylbenz(a)anthraceneBenz(a)anthracene, 5,7,12-trimethyl-5,7,12-TMBA24891-39-2NSC 172542BRN 19717315,7,12-Trimethylbenz[a]anthracene988VWM3049NSC-172542UNII-988VWM3049DTXSID70179595TRIMETHYLBENZ(A)ANTHRACENE, 5,7,12-
Show more names
RefChem:101242DTXCID30102086QCOYHXBAFQMVDF-UHFFFAOYSA-N5,7,12-trimethyltetrapheneNSC1725425,12-TMBA5,12-Trimethylbenz[a]anthraceneBenz[a]anthracene,7,12-trimethyl-
Database identifiers
- CAS
24891-39-2- PubChem CID
- 90642
- DTXSID
DTXSID70179595- UNII
- 988VWM3049
- Nikkaji
- J1.611.749H
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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