Basic information
- CAS
13635-07-9- Standard SMILES
N#CCC(O)CN1C(=O)c2ccccc2C1=O- InChIKey
FFQXXXBBRKUSHT-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914219
Names & identifiers
- Preferred name
- 4-(1,3-Dioxoisoindol-2-yl)-3-hydroxybutanenitrile
- IUPAC
- 4-(1,3-dioxoisoindol-2-yl)-3-hydroxybutanenitrile
Names & synonyms
13635-07-9SCHEMBL23382101FFQXXXBBRKUSHT-UHFFFAOYSA-NDTXSID4011857821,3-Dihydro-I(2)-hydroxy-1,3-dioxo-2H-isoindole-2-butanenitrile4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-hydroxybutanenitrile
Database identifiers
- CAS
13635-07-9- PubChem CID
- 3691146
- DTXSID
DTXSID401185782- Nikkaji
- J37.059B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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