3-methyl-1-(2-oxopropoxy)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
Basic information
- CAS
307550-58-9- Standard SMILES
CC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3- InChIKey
PHOCJILNWAFVTA-UHFFFAOYSA-N- Molecular formula
- C17H18O4
- Average molar mass
- 286.32 g/mol
- Monoisotopic mass
- 286.12050905
Names & identifiers
- Preferred name
- 3-methyl-1-(2-oxopropoxy)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
- IUPAC
- 3-methyl-1-(2-oxopropoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
- English name
- CHEMBRDG-BB 6165544
- Molecular formula
- C17H18O4
- Molecular weight
- 286.32
Names & synonyms
307550-58-93-methyl-1-(2-oxopropoxy)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-oneMFCD018779443-methyl-1-(2-oxopropoxy)-7,8,9,10-tetrahydrobenzo[c]chromen-6-one6H-Dibenzo[b,d]pyran-6-one, 7,8,9,10-tetrahydro-3-methyl-1-(2-oxopropoxy)-3-Methyl-1-(2-oxopropoxy)-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-oneDTXSID60351505STK829225AKOS002377823BS-35926DB-194117CS-0327977
Show more names
CHEMBRDG-BB 6165544OTAVA-BB 72104308413-methyl-1-(2-oxopropoxy)-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one(SALTDATA: FREE)
F3148671-acetonyloxy-3-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
Database identifiers
- CAS
307550-58-9- PubChem CID
- 701968
- DTXSID
DTXSID60351505
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
- Boiling point
- 497.2 · 497.2±45.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 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
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Compound notes
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