Basic information
- CAS
4649-27-8- Standard SMILES
O=C(O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O- InChIKey
LJQKDUGNSCMZSJ-UHFFFAOYSA-N- Molecular formula
- C15H9NO4
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.05315777
Names & identifiers
- Preferred name
- 1,3-Dioxo-2-phenylisoindoline-5-carboxylic acid
- IUPAC
- 1,3-dioxo-2-phenylisoindole-5-carboxylic acid
- English name
- 1,3-Dioxo-2-phenylisoindoline-5-carboxylic acid
- Molecular formula
- C15H9NO4
- Molecular weight
- 267.24
Names & synonyms
4649-27-81,3-DIOXO-2-PHENYLISOINDOLINE-5-CARBOXYLIC ACID1,3-Dioxo-2-phenyl-2,3-dihydro-1H-isoindole-5-carboxylic acid4-carboxy-N-phenylphthalimideMFCD004275381H-Isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-phenyl-1,3-dioxo-2-phenylisoindole-5-carboxylic acidTF9AXG6CBXN-Phenylphthalimide-4-carboxylic acidCHEMBL3746724NSC-1808081,3-dioxo-2-phenylbenzo[c]azolidine-5-carboxylic acid
Show more names
AKOS BBS-00004748IFLAB-BB F1018-13994-CARBOXY-N-PHENYLPHATHALIMIDE1,3-dioxo-2-phenyl-isoindole-5-carboxylic acid1,3-diketo-2-phenyl-isoindoline-5-carboxylic acid1H-isoindole-5-carboxylic acid, 2,3-dihydro-1,3-dioxo-2-ph
NSC180808NSC 180808UNII-TF9AXG6CBX1,3-dioxo-2-phenyl-5-isoindolinecarboxylic acidOprea1_328667Oprea1_553696SCHEMBL1618163DTXSID20196853
Database identifiers
- CAS
4649-27-8- PubChem CID
- 20760
- DTXSID
DTXSID20196853- ChEMBL
CHEMBL3746724- UNII
- TF9AXG6CBX
- Nikkaji
- J1.560.474C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- FDA UNII
- 9 AXG6CBX · TF9AXG6CBX
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
3 records
Compound notes
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