Basic information
- CAS
63472-13-9- Standard SMILES
O=C(O)CCC(=NO)c1ccc(-c2ccccc2)cc1- InChIKey
JWHYERJUDQCVGA-UHFFFAOYSA-N- Molecular formula
- C16H15NO3
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.10519334
Names & identifiers
- Preferred name
- 4-hydroxyimino-4-(4-phenylphenyl)butanoic Acid
- IUPAC
- 4-hydroxyimino-4-(4-phenylphenyl)butanoic acid
- English name
- 4-BIPHENYL-4-YL-4-HYDROXYIMINO-BUTYRIC ACID
- Molecular formula
- C16H15NO3
- Molecular weight
- 269.3
Names & synonyms
63472-13-94-BIPHENYL-4-YL-4-HYDROXYIMINO-BUTYRIC ACID4-hydroxyimino-4-(4-phenylphenyl)butanoic AcidDTXSID00274421DB-3162304-([1,1'-Biphenyl]-4-yl)-4-(hydroxyimino)butanoic acid[1,1'-Biphenyl]-4-butanoic acid, γ-(hydroxyimino)-(4E)-4-[1,1'-biphenyl]-4-yl-4-(hydroxyimino)butanoic acid(4E)-4-[1,1'-biphenyl]-4-yl-4-(hydroxyimino)butanoic acid
Database identifiers
- CAS
63472-13-9- PubChem CID
- 4227
- DTXSID
DTXSID00274421
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 498.624 · 498.624±38.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.172 · 1.172±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.28 · 4.280±0.10(predicted)
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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