Basic information
- CAS
70780-21-1- Standard SMILES
COc1ccc(C(=O)CC2(O)C(=O)c3ccccc3C2=O)cc1OC- InChIKey
JHBFGEOIOJLSIR-UHFFFAOYSA-N- Molecular formula
- C19H16O6
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.09468823
Names & identifiers
- Preferred name
- 1,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-
- IUPAC
- 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-hydroxyindene-1,3-dione
- English name
- 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-hydroxy-1H-indene-1,3(2H)-dione
- Molecular formula
- C19H16O6
- Molecular weight
- 340.33
Names & synonyms
EINECS 274-886-41,3-Indandione, 2-(3,4-dimethoxyphenacyl)-2-hydroxy-2-(3,4-Dimethoxyphenacyl)-2-hydroxy-1,3-indandione2-[2-(3,4-DIMETHOXYPHENYL)-2-OXOETHYL]-2-HYDROXY-1H-INDENE-1,3(2H)-DIONE2-((3,4-Dimethoxybenzoyl)methyl)-2-hydroxy-1,3-dioxoindaneDTXSID102210272-(2-(3,4-Dimethoxyphenyl)-2-oxoethyl)-2-hydroxy-1H-indene-1,3(2H)-dioneRefChem:219277DTXCID10143518274-886-470780-21-1SCHEMBL10344408
Show more names
1H-Indene-1,3(2H)-dione, 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-2-hydroxy-
JHBFGEOIOJLSIR-UHFFFAOYSA-NNS00037113
Database identifiers
- CAS
70780-21-1- PubChem CID
- 198533
- DTXSID
DTXSID10221027- EC Number
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 532
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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