Basic information
- CAS
84591-18-4- Standard SMILES
COC(=O)/C=C/N1C(=O)c2ccccc2C1=O- InChIKey
VNJCZZWNIRBJTL-VOTSOKGWSA-N- Molecular formula
- C12H9NO4
- Average molar mass
- 231.2 g/mol
- Monoisotopic mass
- 231.05315777
Names & identifiers
- Preferred name
- methyl (E)-3-(1,3-dioxoisoindol-2-yl)prop-2-enoate
- IUPAC
- methyl (E)-3-(1,3-dioxoisoindol-2-yl)prop-2-enoate
Names & synonyms
NSC15627884591-18-4NSC520225NSC-156278NSC-520225
Database identifiers
- CAS
84591-18-4- PubChem CID
- 5385877
- Nikkaji
- J2.572.682K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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