Basic information
- CAS
17513-40-5- Standard SMILES
Cc1c2ccccc2c(C=O)c2c1ccc1ccccc12- InChIKey
FPNFYDYIOKGCPS-UHFFFAOYSA-N- Molecular formula
- C20H14O
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.10446507
Names & identifiers
- Preferred name
- Benz[a]anthracene-12-carboxaldehyde, 7-methyl-
- IUPAC
- 7-methylbenzo[a]anthracene-12-carbaldehyde
- English name
- 7-Methylbenz[a]anthracene-12-carbaldehyde
- Molecular weight
- 0
Names & synonyms
BENZ(a)ANTHRACENE-12-CARBOXALDEHYDE, 7-METHYL-17513-40-5BRN 2333173DTXSID80169942Benz[a]anthracene-12-carboxaldehyde, 7-methyl-RefChem:321031DTXCID2092433FPNFYDYIOKGCPS-UHFFFAOYSA-N7-Methylbenz(a)anthracene-12-carboxaldehyde12-Formyl-7-methylbenz(a)anthracene12-Formyl-7-methylbenz[a]anthracene7-Methylbenzo[a]anthracene-12-carbaldehyde
Show more names
7-Methylbenz[a]anthracene-12-carbaldehyde
7-methyltetraphene-12-carbaldehyde7-Methylbenzo[a]anthracene-12-carbaldehyde #
Database identifiers
- CAS
17513-40-5- PubChem CID
- 28577
- DTXSID
DTXSID80169942- Nikkaji
- J35.519D
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Boiling point
- 373.44 °C · 373.44°C (rough estimate)
- Density
- 1.0717 · 1.0717 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…