Basic information
- CAS
3722-47-2- Standard SMILES
COc1cc(OC)c2c3c(c(=O)oc2c1)CCCC3- InChIKey
JFZQPCXOYOHJNH-UHFFFAOYSA-N- Molecular formula
- C15H16O4
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10485899
Names & identifiers
- Preferred name
- 1,3-dimethoxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one
- IUPAC
- 1,3-dimethoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
- English name
- 1,3-dimethoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
- Molecular formula
- C15H16O4
- Molecular weight
- 260.29
Names & synonyms
1,3-dimethoxy-7,8,9,10-tetrahydro-6H-benzo[c]chromen-6-one3722-47-21,3-DIMETHOXY-7,8,9,10-TETRAHYDRO-6H-BENZO(C)CHROMEN-6-ONEOprea1_223357Oprea1_341006IFLab1_001525HMS1416F07STL445561AKOS000522333CCG-311515ST080290AG-690/12889009
Show more names
1,3-dimethoxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one6H-Dibenzo[b,d]pyran-6-one, 7,8,9,10-tetrahydro-1,3-dimethoxy-
SR-01000315560SR-01000315560-1Z567840981,3-dimethoxy-7,8,9,10-tetrahydrobenzo[1,2-c]chromen-6-one1,3-dimethoxy-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-6-one
Database identifiers
- CAS
3722-47-2- PubChem CID
- 680696
- EC Number
- 169-037-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Melting point
- 178 °C · 178 °C
- Boiling point
- 458.6 · 458.6±45.0 °C(Predicted)
- Density
- 1.25 · 1.25±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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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