2H-1-Benzopyran-2-one, 4,8-dimethyl-7-(2-propen-1-yloxy)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
3993-43-9- Standard SMILES
C=CCOc1ccc2c(C)cc(=O)oc2c1C- InChIKey
CWBNOQSQEHMTNZ-UHFFFAOYSA-N- Molecular formula
- C14H14O3
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.0942943
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 4,8-dimethyl-7-(2-propen-1-yloxy)-
- IUPAC
- 4,8-dimethyl-7-prop-2-enoxychromen-2-one
- English name
- 7-ALLYLOXY-4,8-DIMETHYL-CHROMEN-2-ONE
- Molecular formula
- C14H14O3
- Molecular weight
- 230.26
Names & synonyms
3993-43-9Coumarin, 7-(allyloxy)-4,8-dimethyl-2H-1-Benzopyran-2-one, 4,8-dimethyl-7-(2-propenyloxy)-NSC 604172H-1-Benzopyran-2-one, 4,8-dimethyl-7-(2-propen-1-yloxy)-DTXSID00884024RefChem:484139DTXCID201023497Coumarin, 7-(allyloxy)-4,8-dimethyl-(8CI)7-Allyloxy-4,8-dimethylcoumarin7-(Allyloxy)-4,8-dimethyl-2H-chromen-2-one7-allyloxy-4,8-dimethyl-chromen-2-one
Show more names
4,8-Dimethyl-7-(2-propenyloxy)-2H-1-benzopyran-2-one
4,8-dimethyl-7-(prop-2-en-1-yloxy)-2H-chromen-2-oneNSC60417NSC-604174,8-Dimethyl-7-[(prop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one4,8-dimethyl-7-prop-2-enoxychromen-2-one4,8-Dimethyl-7-allyloxycoumarinCBMicro_04526595M9DC99FV
Database identifiers
- CAS
3993-43-9- PubChem CID
- 96225
- DTXSID
DTXSID00884024- ChEMBL
CHEMBL1971340- UNII
- 95M9DC99FV
- Nikkaji
- J421.702K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 108 · 108-109 °C
- Boiling point
- 378.5 · 378.5±42.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 H-1-Benzopyran-2-one, · 2H-1-Benzopyran-2-one, 4,8-dimethyl-7-(2-propenyloxy)- (3993-43-9)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-1-Benzopyran-2-one, 4,8-dimethyl-7-(2-propen-1-yloxy)-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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