Basic information
- Standard SMILES
N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccc(O)c(O)c1- InChIKey
DTLIZDFEZQPPPW-UHFFFAOYSA-N- Molecular formula
- C16H14N2O4
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.09535693
Names & identifiers
- Preferred name
- 2-Amino-4-(3,4-dihydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- IUPAC
- 2-amino-4-(3,4-dihydroxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Names & synonyms
2-Amino-4-(3,4-dihydroxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrileOprea1_491708Oprea1_814168DTLIZDFEZQPPPW-UHFFFAOYSA-NDTXSID901372530STK871952AKOS000575763AKOS022094435ST50260113SR-01000408395SR-01000408395-12-amino-4-(3,4-dihydroxyphenyl)-5-oxo-4H-6,7,8-trihydrochromene-3-carbonitrile
Show more names
4H-1-Benzopyran-3-carbonitrile, 2-amino-4-(3,4-dihydroxyphenyl)-5,6,7,8-tetrahydro-5-oxo-
Database identifiers
- PubChem CID
- 3137553
- DTXSID
DTXSID901372530
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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