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Basic information
- CAS
21421-65-8- Standard SMILES
COc1cc(OC)c2c(c1)OC(C)(C)CC2=O- InChIKey
CTHKYWHUQSYHGU-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2,2-dimethyl-
- IUPAC
- 5,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one
- English name
- 2,3-Dihydro-5,7-dihydroxy-2,2,6-trimethyl-4H-1-benzopyran-4-one, derivative of
- Molecular formula
- C13H16O4
- Molecular weight
- 236.26
Names & synonyms
21421-65-84H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2,2-dimethyl-DTXSID50345150RefChem:297219DTXCID002962245,7-Dimethoxy-2,2-dimethylchroman-4-one5,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one5,7-dimethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-oneSCHEMBL10403796AKOS0140259072,2-Dimethyl-5,7-dimethoxy-chromanone5,7-dimethoxy-2,2-dimethyl-4-chromanone
Show more names
2,3-Dihydro-5,7-dihydroxy-2,2,6-trimethyl-4H-1-benzopyran-4-one, derivative of
CS-0069151D73740AJ-091/33874004EN300-132718975,7-DIMETHOXY-2,2-DIMETHYL-CHROMAN-4-ONE5,7-Dimethoxy-2,2-dimethyl-2,3-dihydro-4H-chromen-4-one #5,7-Dimethoxy-2,2-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
21421-65-8- PubChem CID
- 602124
- DTXSID
DTXSID50345150
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Melting point
- 104.5 · 104.5-105 °C
- Boiling point
- 368.6 · 368.6±42.0 °C(Predicted)
- Density
- 1.123 · 1.123±0.06 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
Chemistry & industry
Suppliers3 total
上海鹏鹊化学科技有限公司15317013857 15901926503 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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