4-Methyl-3-(2-oxopropoxy)-7,8,9,10-tetrahydro-6H-benzo[C]chromen-6-one
Basic information
- CAS
307550-03-4- Standard SMILES
CC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3- InChIKey
FPBPSCOEWNGWAT-UHFFFAOYSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Names & identifiers
- Preferred name
- 4-Methyl-3-(2-oxopropoxy)-7,8,9,10-tetrahydro-6H-benzo[C]chromen-6-one
- IUPAC
- 4-methyl-3-(2-oxopropoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
- English name
- CHEMBRDG-BB 6148717
- Molecular formula
- C17H18O4
- Molecular weight
- 286.32
Names & synonyms
307550-03-44-METHYL-3-(2-OXOPROPOXY)-7,8,9,10-TETRAHYDRO-6H-BENZO[C]CHROMEN-6-ONESMR6YRF7DZMFCD019600634-methyl-3-(2-oxopropoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-oneCHEMBL4880734-Methyl-3-(2-oxopropoxy)-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one7,8,9,10-Tetrahydro-4-methyl-3-(2-oxopropoxy)-6H-dibenzo(b,d)pyran-6-one4-Methyl-3-(2-oxidanylidenepropoxy)-7,8,9,10-tetrahydrobenzo(C)chromen-6-one6H-Dibenzo(b,d)pyran-6-one, 7,8,9,10-tetrahydro-4-methyl-3-(2-oxopropoxy)-6H-Dibenzo[b,d]pyran-6-one, 7,8,9,10-tetrahydro-4-methyl-3-(2-oxopropoxy)-UNII-SMR6YRF7DZ
Show more names
CHEMBRDG-BB 6148717OTAVA-BB 72104307794-methyl-3-(2-oxopropoxy)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one(SALTDATA: FREE)
CBMicro_0315177-Acetonyloxy-3,4-cyclohexene-8-methylcoumarinDTXSID00351504BDBM50246265STL303255AKOS002377920BS-35927PD183065
Database identifiers
- CAS
307550-03-4- PubChem CID
- 701943
- DTXSID
DTXSID00351504- ChEMBL
CHEMBL488073- UNII
- SMR6YRF7DZ
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Melting point
- 161 · 161-162 °C
- Boiling point
- 475.1 · 475.1±45.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- FDA UNII
- 6 YRF7DZ · SMR6YRF7DZ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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