Chrysen-1-one, 1,2,3,4-tetrahydro-11-methyl-
Basic information
- CAS
27343-29-9- Standard SMILES
Cc1cc2c(c3ccc4ccccc4c13)CCCC2=O- InChIKey
CPSGQBYDXCPIHQ-UHFFFAOYSA-N- Molecular formula
- C19H16O
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.12011513
Names & identifiers
- Preferred name
- Chrysen-1-one, 1,2,3,4-tetrahydro-11-methyl-
- IUPAC
- 11-methyl-3,4-dihydro-2H-chrysen-1-one
- English name
- 11-Methyl-1,2,3,4-tetrahydrochrysen-1-one
- Molecular formula
- C19H16O
- Molecular weight
- 260.33
Names & synonyms
27343-29-9Chrysene-11-methyl-1,2,3,4-tetrahydro-1-one1(2H)-Chrysenone, 3,4-dihydro-11-methyl-1,2,3,4-Tetrahydro-11-methylchrysen-1-oneCHRYSEN-1-ONE, 1,2,3,4-TETRAHYDRO-11-METHYL-BRN 246702711-Methyl-3,4-dihydro-1(2H)-chrysenone11-Methyl-1-oxo-1,2,3,4-tetrahydrochrysene11-methyl-3,4-dihydrochrysen-1(2H)-one3,4-Dihydro-11-methyl-1(2H)-Chrysenone3-07-00-02658 (Beilstein Handbook Reference)P6S49KR37L
Show more names
3,4-Dihydro-11-methylchrysen-1(2H)-one11-Methyl-1,2,3,4-tetrahydrochrysen-1-one
DTXSID10181778
Database identifiers
- CAS
27343-29-9- PubChem CID
- 33785
- DTXSID
DTXSID10181778- UNII
- P6S49KR37L
- Nikkaji
- J33.984I
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 387
Physicochemical properties
- Melting point
- 139.5 · 139.5-140.5 °C
- Boiling point
- 343.59 °C · 343.59°C (rough estimate)
- Density
- 1.101 · 1.1010 (rough estimate)
- refractive index
- 1.45 · 1.4500 (estimate)
- FDA UNII
- 6 S49KR37L · P6S49KR37L
- Comptox DTXSID
- 10181778 · DTXSID10181778
- HS Code
- 2914399090 · 2914399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914399090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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