Basic information
- CAS
2756-76-5- Standard SMILES
C=COC(=O)CN1C(=O)c2ccccc2C1=O- InChIKey
BDUPBVQZWCFKQY-UHFFFAOYSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Names & identifiers
- Preferred name
- 2-Isoindolineacetic acid, 1,3-dioxo-, vinyl ester
- IUPAC
- ethenyl 2-(1,3-dioxoisoindol-2-yl)acetate
- English name
- ethenyl 2-(1,3-dioxoisoindol-2-yl)acetate
- Molecular formula
- C12H9NO4
- Molecular weight
- 231.2
Names & synonyms
2756-76-51,3-Dioxo-2-isoindolineacetic acid vinyl ester2-ISOINDOLINEACETIC ACID, 1,3-DIOXO-, VINYL ESTER4L55VYA8S2ethenyl 2-(1,3-dioxoisoindol-2-yl)acetateN-Phthaloylglycine vinyl esterBRN 0211739UNII-4L55VYA8S25-21-10-00432 (Beilstein Handbook Reference)DTXSID20181961Ethenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, ethenyl ester
Database identifiers
- CAS
2756-76-5- PubChem CID
- 17686
- DTXSID
DTXSID20181961- UNII
- 4L55VYA8S2
- Nikkaji
- J68.617D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 353
Physicochemical properties
- Melting point
- 104 · 104-105 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 353 · 353.0±25.0 °C(Predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- pka
- -2.54 · -2.54±0.20(Predicted)
- FDA UNII
- 4 L55VYA8S2 · 4L55VYA8S2
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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