Basic information
- CAS
65479-04-1- Standard SMILES
Oc1ccccc1C1=NOC(N(O)C2CC(c3ccccc3O)=NO2)C1- InChIKey
IPWAZGIEBHFSSC-UHFFFAOYSA-N- Molecular formula
- C18H17N3O5
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.11682065
Names & identifiers
- Preferred name
- Phenol, 2,2'-[(hydroxyimino)bis(4,5-dihydro-5,3-isoxazolediyl)]bis-
- IUPAC
- 2-[5-[hydroxy-[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]amino]-4,5-dihydro-1,2-oxazol-3-yl]phenol
- English name
- 2,2'-[Hydroxyiminobis(4,5-dihydroisoxazole-5,3-diyl)]bisphenol
- Molecular formula
- C18H17N3O5
- Molecular weight
- 355.34
Names & synonyms
Phenol, 2,2'-[(hydroxyimino)bis(4,5-dihydro-5,3-isoxazolediyl)]bis-65479-04-1DTXSID10798502IPWAZGIEBHFSSC-UHFFFAOYSA-N6,6'-[(Hydroxyazanediyl)di(1,2-oxazolidin-5-yl-3-ylidene)]di(cyclohexa-2,4-dien-1-one)2-(5-(Hydroxy[3-(2-hydroxyphenyl)-4,5-dihydro-5-isoxazolyl]amino)-4,5-dihydro-3-isoxazolyl)phenol #2,2'-[Hydroxyiminobis(4,5-dihydroisoxazole-5,3-diyl)]bisphenolPhenol, 2,2'-[(hydroxyimino)bis(4,5-dihydro-5,3-isoxazolediyl)]bis- (9CI)
Database identifiers
- CAS
65479-04-1- PubChem CID
- 595035
- DTXSID
DTXSID10798502- Nikkaji
- J131.923J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 521
Physicochemical properties
- Melting point
- 213 · 213-214 °C
- Boiling point
- 582.2 · 582.2±60.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 8.31 · 8.31±0.35(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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