Basic information
- CAS
16499-05-1- Standard SMILES
CC1(C)CC(=O)c2cc3ccc(=O)oc3cc2O1- InChIKey
WEDGVCZUPFZNDE-UHFFFAOYSA-N- Molecular formula
- C14H12O4
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.07355886
Overview
Graveolone is a member of coumarins.
Names & identifiers
- Preferred name
- 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-2,6-dione
- IUPAC
- 2,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dione
- English name
- 7,8-Dihydro-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione
- Molecular formula
- C14H12O4
- Molecular weight
- 244.24
Names & synonyms
Graveolone16499-05-12,2-dimethyl-3H-pyrano[3,2-g]chromene-4,8-dioneDTXSID101678308,8-dimethyl-2H,6H,7H,8H-pyrano[3,2-g]chromene-2,6-dione2,2-dimethyl-3H-pyrano(3,2-g)chromene-4,8-dione8,8-dimethyl-2H,6H,7H,8H-pyrano(3,2-g)chromene-2,6-dioneRefChem:1074266DTXCID10903217,8-Dihydro-8,8-dimethyl-2H,6H-benzo(1,2-b:5,4-b')dipyran-2,6-dione7,8-Dihydro-8,8-dimethyl-2H,6H-benzo[1,2-b8,8-Dimethyl-7,8-dihydro-pyrano[3,2-g]chromene-2,6-dione
Show more names
7,8-Dihydro-8,8-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-2,6-dione
6,7-Dihydro-8,8-dimethyl-2h,8h-benzo(1,2-b:5,4-b')dipyran-2,6-dione6,7-Dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2,6-dioneorb2563975SCHEMBL40063814CHEBI:174258TN78512H,6H-Benzo[1,2-b:5,4-b']dipyran-2,6-dione, 7,8-dihydro-8,8-dimethyl-XG163695
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
Melting Point177.5 - 178 °C
Physical DescriptionSolid
Physicochemical properties
- LogP
- 2.67 · 2.670 (est)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers3 total
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
上海宾穗生物科技有限公司18301908279 · [email protected]
Additional notes
DefinitionChEBI: Graveolone is a member of coumarins.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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