Basic information
- CAS
14002-97-2- Standard SMILES
COc1ccc2c(C)cc(=O)oc2c1OC- InChIKey
KVRKWGMQOATVAE-UHFFFAOYSA-N- Molecular formula
- C12H12O4
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.07355886
Names & identifiers
- Preferred name
- 7,8-Dimethoxy-4-methyl-2H-chromen-2-one
- IUPAC
- 7,8-dimethoxy-4-methylchromen-2-one
- English name
- 7,8-Dimethoxy-4-methyl-chromen-2-one
- Molecular formula
- C12H12O4
- Molecular weight
- 220.22
Names & synonyms
7,8-Dimethoxy-4-methyl-2H-chromen-2-one14002-97-27,8-dimethoxy-4-methylchromen-2-one7,8-DIMETHOXY-4-METHYLCOUMARINNSC6887937,8-dimethoxy-4-methyl-2H-1-benzopyran-2-one7,8-dimethoxy-4-methyl-chromen-2-oneSCHEMBL4772250CHEMBL1980149KVRKWGMQOATVAE-UHFFFAOYSA-NDTXSID4013717374-Methyldaphnetin di-O-methyl ether
Show more names
2H-1-Benzopyran-2-one, 7,8-dimethoxy-4-methyl-
SBB012421AKOS003239807NSC-688793NCI60_031991ST060203CS-0328787AG-690/33347038SR-01000195711
Database identifiers
- CAS
14002-97-2- PubChem CID
- 390797
- DTXSID
DTXSID401371737- ChEMBL
CHEMBL1980149- Nikkaji
- J2.347.554E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 131 · 131-132 °C
- Boiling point
- 376 · 376.0±42.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- HS Code
- 2932209088 · 2932209088
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
- 2932209088
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…