Basic information
- CAS
710331-78-5- Standard SMILES
CC1=C(C#N)C(c2cc(O)ccc2O)C(C#N)=C(C)N1- InChIKey
MEAZRLVECLLIKQ-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.10077667
Names & identifiers
- Preferred name
- 4-(2,5-Dihydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
- IUPAC
- 4-(2,5-dihydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
- English name
- 4-(2,5-Dihydroxy-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarbonitrile
- Molecular formula
- C15H13N3O2
- Molecular weight
- 267.28
Names & synonyms
4-(2,5-dihydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrileAKOS024326579ST504502444-(2,5-DIHYDROXY-PHENYL)-2,6-DIMETHYL-1,4-DIHYDRO-PYRIDINE-3,5-DICARBONITRILE3,5-Pyridinedicarbonitrile, 4-(2,5-dihydroxyphenyl)-1,4-dihydro-2,6-dimethyl-
Database identifiers
- CAS
710331-78-5- PubChem CID
- 4530246
- EC Number
- 167-991-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Boiling point
- 468.991 · 468.991±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.372 · 1.372±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.352 · 10.352±0.48(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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