Basic information
- CAS
875283-46-8- Standard SMILES
N#CC(=Cc1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1- InChIKey
CANOJKGQDCJDOX-UHFFFAOYSA-N- Molecular formula
- C16H11NO5
- Average molar mass
- 297.26 g/mol
- Monoisotopic mass
- 297.06372245
Names & identifiers
- Preferred name
- 2-(3,4-Dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
- IUPAC
- 2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Names & synonyms
3-(3,4-dihydroxyphenyl)-2-[(3,4-dihydroxyphenyl)-oxomethyl]-2-propenenitrile875283-46-82-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrileSCHEMBL2678765DTXSID201018139HMS3369P09Q27163922
Database identifiers
- CAS
875283-46-8- PubChem CID
- 2057
- DTXSID
DTXSID201018139
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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