2-(4-Methoxybenzoyl)indan-1,3-dione
Basic information
- CAS
147847-17-4- Standard SMILES
COc1ccc(C(=O)C2C(=O)c3ccccc3C2=O)cc1- InChIKey
NJSFXAKMNPVRCR-UHFFFAOYSA-N- Molecular formula
- C17H12O4
- Average molar mass
- 280.27 g/mol
- Monoisotopic mass
- 280.07355886
Names & identifiers
- Preferred name
- 2-(4-Methoxybenzoyl)indan-1,3-dione
- IUPAC
- 2-(4-methoxybenzoyl)indene-1,3-dione
- English name
- 2-(4-Methoxybenzoyl)-1H-indene-1,3(2H)-dione, 4-[(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)carbonyl]anisole
- Molecular formula
- C17H12O4
- Molecular weight
- 280.27
Names & synonyms
147847-17-42-(4'-Methoxybenzoyl)indan-1,3-dione2-(4-Methoxybenzoyl)indan-1,3-dione2-(4-Methoxybenzoyl)-1H-indene-1,3(2H)-dione2-(4-methoxybenzoyl)indene-1,3-dione2-(4-Methoxybenzoyl)indane-1,3-dioneMFCD001294031H-Indene-1,3(2H)-dione, 2-(4-methoxybenzoyl)-SCHEMBL6970354DTXSID70371552NJSFXAKMNPVRCR-UHFFFAOYSA-NSBB061955
Show more names
2-(4-Methoxybenzoyl)indane-1,3-dione98%2-(4-Methoxybenzoyl)indane-1,3-dione 98%2-(4-Methoxybenzoyl)-1H-indene-1,3(2H)-dione, 4-[(2,3-Dihydro-1,3-dioxo-1H-inden-2-yl)carbonyl]anisole
AKOS005110812MS-63432-(4''-Methoxybenzoyl)indan-1,3-dioneFM170055CS-0207109F0111812-[(4-methoxyphenyl)carbonyl]-2-hydrocyclopenta[1,2-a]benzene-1,3-dione
Database identifiers
- CAS
147847-17-4- PubChem CID
- 2736722
- DTXSID
DTXSID70371552- Nikkaji
- J3.479.351D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Boiling point
- 496.8 · 496.8±45.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- form
- Powder
- pka
- 4.18 · 4.18±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2914390090 · 2914390090
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
- hs_code
- 2914390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Related reactions
1 records
Compound notes
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