Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate
Basic information
- CAS
6267-88-5- Standard SMILES
COC(=O)/C=C(/C(=O)OC)c1c[nH]c2ccccc12- InChIKey
WGFSEAIISWYRDY-JXMROGBWSA-N- Molecular formula
- C14H13NO4
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.0844579
Names & identifiers
- Preferred name
- Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate
- IUPAC
- dimethyl (E)-2-(1H-indol-3-yl)but-2-enedioate
Names & synonyms
Dimethyl (2E)-2-(1H-indol-3-yl)but-2-enedioate6267-88-5DTXSID80417955RefChem:338375DTXCID50368804NSC36590NSC-36590NSC119475NSC-119475
Database identifiers
- CAS
6267-88-5- PubChem CID
- 5355447
- DTXSID
DTXSID80417955
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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