Basic information
- CAS
52401-41-9- Standard SMILES
COc1cc2c(cc1OC)C(=NO)CCC2- InChIKey
PYZJFASRHCPXNX-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime
- IUPAC
- N-(6,7-dimethoxy-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
- English name
- 1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime
- Molecular formula
- C12H15NO3
- Molecular weight
- 221.25
Names & synonyms
1-Oxo-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalene oxime52401-41-9DTXSID40346590RefChem:232864DTXCID70297662SCHEMBL5472326N-(6,7-Dimethoxy-3,4-dihydronaphthalen-1(2H)-ylidene)hydroxylamine1(2H)-Naphthalenone, 3,4-dihydro-6,7-dimethoxy-, oxime
Database identifiers
- CAS
52401-41-9- PubChem CID
- 613476
- DTXSID
DTXSID40346590
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 157 · 157-158 °C
- Boiling point
- 389 · 389.0±42.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 11.92 · 11.92±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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