Basic information
- CAS
5471-45-4- Standard SMILES
COc1ccc(CC(=NO)c2ccc(OC)cc2)cc1- InChIKey
HQIRMFJXORPNQN-UHFFFAOYSA-N- Molecular formula
- C16H17NO3
- Average molar mass
- 271.31 g/mol
- Monoisotopic mass
- 271.1208434
Names & identifiers
- Preferred name
- Desoxyanisoin Oxime
- IUPAC
- N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
- English name
- N-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
- Molecular formula
- C16H17NO3
- Molecular weight
- 271.31
Names & synonyms
Desoxyanisoin OximeSCHEMBL9564540DTXSID20970019HQIRMFJXORPNQN-UHFFFAOYSA-NHMS2371K16AKOS030695058Deoxyanisoin oximeEthanone, 1,2-bis(4-methoxyphenyl)-, oximeN-[1,2-bis(4-methoxyphenyl)ethylidene]hydroxylamine
Database identifiers
- CAS
5471-45-4- PubChem CID
- 231097
- DTXSID
DTXSID20970019
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 118 · 118-120 °C
- Boiling point
- 445.917 · 445.917±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.101 · 1.101±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.66 · 11.660±0.14(predicted)
Chemistry & industry
Suppliers1 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
2 records
Compound notes
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