(1Z)-2-Hydroxy-1,2-diphenylethanone oxime
Basic information
- CAS
7110-50-1- Standard SMILES
O/N=C(/c1ccccc1)C(O)c1ccccc1- InChIKey
WAKHLWOJMHVUJC-SQFISAMPSA-N- Molecular formula
- C14H13NO2
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.09462866
Names & identifiers
- Preferred name
- (1Z)-2-Hydroxy-1,2-diphenylethanone oxime
- IUPAC
- (2Z)-2-hydroxyimino-1,2-diphenylethanol
- English name
- 2-Hydroxy-1,2-diphenylethanone (Z)-oxime
- Molecular weight
- 227.26
Names & synonyms
Benzoin oxime, (Z)-7110-50-1PTC1433KJ8(1Z)-2-hydroxy-1,2-diphenylethanone oximeDTXSID201269304RefChem:1049547DTXCID201699927Cupronalpha-Benzoin oxime(2Z)-2-hydroxyimino-1,2-diphenylethanol(2Z)-2-(hydroxyimino)-1,2-diphenylethanolUSAF FA-5
Show more names
anti-Benzoin oxime2-Hydroxy-1,2-diphenylethanone (Z)-oxime(Z)-2-Hydroxy-1,2-diphenylethanone oxime
Benzoin anti-oximeNSC 659Z-Benzoin oxime2-Hydroxy-1,2-diphenyl-ethanone oximealpha-Benzoinoxime.alpha.-Benzoin oxime1143-89-1Benzoin, .alpha.-oxime
Database identifiers
- CAS
7110-50-1- PubChem CID
- 5359397
- DTXSID
DTXSID201269304- UNII
- PTC1433KJ8
- Nikkaji
- J81.328A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Melting point
- 96 · 96-98 °C(Solvent: Ethyl acetate)
- Boiling point
- 417.777 · 417.777±38.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.135 · 1.135±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.05 · 11.050±0.70(predicted)
- FDA UNII
- 1433 KJ8 · PTC1433KJ8
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Compound notes
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