Basic information
- CAS
70894-40-5- Standard SMILES
COc1ccc(-c2c(C)oc3cc(OC)ccc3c2=O)cc1- InChIKey
QHMHKLMWWCUVOU-UHFFFAOYSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.10485899
Names & identifiers
- Preferred name
- 7-methoxy-3-(4-methoxyphenyl)-2-methyl-4H-chromen-4-one
- IUPAC
- 7-methoxy-3-(4-methoxyphenyl)-2-methylchromen-4-one
Names & synonyms
7-methoxy-3-(4-methoxyphenyl)-2-methyl-4H-chromen-4-one70894-40-57-methoxy-3-(4-methoxyphenyl)-2-methylchromen-4-one4H-1-Benzopyran-4-one, 7-methoxy-3-(4-methoxyphenyl)-2-methyl-Oprea1_370558Oprea1_741157F0758-0047IFLab1_003425DTXSID80353607HMS1421L15STK924561AKOS002164494
Show more names
NCGC00295822-01ST50039848AB01289771-01SR-01000443978SR-01000443978-17-Methoxy-3-(4-methoxyphenyl)-2-methyl-4H-1-benzopyran-4-one
Database identifiers
- CAS
70894-40-5- PubChem CID
- 746413
- DTXSID
DTXSID80353607- EC Number
- 126-617-6
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…