Basic information
- CAS
748812-30-8- Standard SMILES
O=C(/C=C/c1ccccc1)OCN1C(=O)c2ccccc2C1=O- InChIKey
NIJJDJGSTXBRTN-ZHACJKMWSA-N- Molecular formula
- C18H13NO4
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.0844579
Names & identifiers
- Preferred name
- (1,3-dioxoisoindol-2-yl)methyl (E)-3-phenylprop-2-enoate
- IUPAC
- (1,3-dioxoisoindol-2-yl)methyl (E)-3-phenylprop-2-enoate
Names & synonyms
CHEMBL183456(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl (2E)-3-phenylprop-2-enoate(1,3-dioxoisoindol-2-yl)methyl (E)-3-phenylprop-2-enoate748812-30-8MLS001164233DTXSID301331809HMS2863E22BDBM50149614STL335963AKOS022134832SMR000539679(1,3-dioxoisoindolin-2-yl)methyl cinnamate
Show more names
(E)-3-Phenyl-acrylic acid 1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl ester
Database identifiers
- CAS
748812-30-8- PubChem CID
- 950280
- DTXSID
DTXSID301331809- ChEMBL
CHEMBL183456
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Experimental & physicochemical properties
Solubility2.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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