Basic information
- CAS
1029691-06-2- Standard SMILES
O=C1CCC(N2C(=O)c3ccccc3C2=O)C1- InChIKey
RTIZJQCGWLDNKT-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 2-(3-Oxocyclopentyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(3-oxocyclopentyl)isoindole-1,3-dione
- English name
- 1H-Isoindole-1,3(2H)-dione, 2-(3-oxocyclopentyl)-
- Molecular formula
- C13H11NO3
- Molecular weight
- 229.23
Names & synonyms
1029691-06-2DTXSID307124022-(3-Oxocyclopentyl)-1H-isoindole-1,3(2H)-dioneRefChem:251725DTXCID906631482-(3-Oxocyclopentyl)isoindoline-1,3-dione2-(3-oxocyclopentyl)isoindole-1,3-dioneMFCD189102521H-Isoindole-1,3(2H)-dione, 2-(3-oxocyclopentyl)-2-(3-oxocyclopentyl)-2,3-dihydro-1H-isoindole-1,3-dioneSCHEMBL1178289SCHEMBL29545787
Show more names
5-(4-hydroxyphenyl)isoxazole-7-carboxylicacid2-(3-oxocyclopentyl)-1H-Isoindole-1,3(2H)-dione1029691-06-2
RTIZJQCGWLDNKT-UHFFFAOYSA-NBenzoicacid,6-hydroxy-,pentylesterERB69106AKOS016012818DS-5507SB64570SY190213DB-098102
Database identifiers
- CAS
1029691-06-2- PubChem CID
- 54594098
- DTXSID
DTXSID30712402
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- Boiling point
- 393.5 · 393.5±35.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -2.33 · -2.33±0.20(Predicted)
- Appearance
- White to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers22 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
Related reactions
8 records
Compound notes
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