1-ethoxy-3-methyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
Basic information
- CAS
307550-41-0- Standard SMILES
CCOc1cc(C)cc2oc(=O)c3c(c12)CCCC3- InChIKey
PXQSNYGKDLPGEB-UHFFFAOYSA-N- Molecular formula
- C16H18O3
- Average molar mass
- 258.31 g/mol
- Monoisotopic mass
- 258.12559443
Names & identifiers
- Preferred name
- 1-ethoxy-3-methyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
- IUPAC
- 1-ethoxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
- English name
- 1-ethoxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
- Molecular formula
- C16H18O3
- Molecular weight
- 258.31
Names & synonyms
1-ethoxy-3-methyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one307550-41-0CBMicro_031635ChemDiv1_022232Oprea1_419131MLS001197365CHEMBL1331353HMS650C12HMS2864D03AKOS001064293SMR000555342BIM-0031559.P001
Show more names
1-ethoxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one1-ETHOXY-3-METHYL-7,8,9,10-TETRAHYDRO-6H-BENZO(C)CHROMEN-6-ONE6H-Dibenzo[b,d]pyran-6-one, 1-ethoxy-7,8,9,10-tetrahydro-3-methyl-
EU-0039238SR-01000442989SR-01000442989-1Z568871921-ethoxy-3-methyl-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Database identifiers
- CAS
307550-41-0- PubChem CID
- 701957
- ChEMBL
CHEMBL1331353- EC Number
- 143-983-2
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 447.2 · 447.2±45.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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