Basic information
- CAS
29976-77-0- Standard SMILES
COc1ccc(-c2cc(=O)c3cc(C)ccc3o2)cc1- InChIKey
YTSXWTNKPYQBGN-UHFFFAOYSA-N- Molecular formula
- C17H14O3
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.0942943
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-6-methyl-4H-chromen-4-one
- IUPAC
- 2-(4-methoxyphenyl)-6-methylchromen-4-one
- English name
- 4'-METHOXY-6-METHYLFLAVONE
- Molecular formula
- C17H14O3
- Molecular weight
- 266.29
Names & synonyms
2-(4-Methoxyphenyl)-6-methyl-4H-chromen-4-one29976-77-04'-METHOXY-6-METHYLFLAVONE6-METHYL-4'-METHOXYFLAVONE2-(4-methoxyphenyl)-6-methylchromen-4-oneOprea1_385050SCHEMBL5351432-(4-Methoxyphenyl)-6-methyl-4H-1-benzopyran-4-oneCHEMBL2442379DTXSID70350948YTSXWTNKPYQBGN-UHFFFAOYSA-NEBC-07594
Show more names
4H-1-Benzopyran-4-one, 2-(4-methoxyphenyl)-6-methyl-
AKOS001075130MB01115UPCMLD0ENAT5343805:001NCGC00335857-01ST056229CS-0282064AB01115709-03EN300-18246524
Database identifiers
- CAS
29976-77-0- PubChem CID
- 688682
- DTXSID
DTXSID70350948- ChEMBL
CHEMBL2442379- Nikkaji
- J435.648I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Melting point
- 170 °C · 170 °C(Solv: ethanol (64-17-5))
- Boiling point
- 428.5 · 428.5±45.0 °C(Predicted)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- hazard_code
- Xn
Chemistry & industry
Suppliers3 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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