Basic information
- CAS
121347-31-7- Standard SMILES
COc1ccc(OC)c(C(=O)C(C)=NO)c1- InChIKey
CLMOUULSNFEJKR-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- [2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride
- IUPAC
- 1-(2,5-dimethoxyphenyl)-2-hydroxyiminopropan-1-one
- English name
- 1-(2,5-Dimethoxyphenyl)-2-oximino-1-propanone
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
121347-31-71-(2,5-Dimethoxyphenyl)-2-hydroxyiminopropan-1-one[2-(2,5-Dimethoxyphenyl)-1-methyl-2-oxoethylidene]hydroxyammonium chloride1-(2,5-Dimethoxyphenyl)-2-(hydroxyimino)propan-1-oneMethoxamine Impurity 16SCHEMBL28548898DTXSID70425988CLMOUULSNFEJKR-UHFFFAOYSA-NMethoxamine Impurity 5(2,5-Dimethoxyphenyl)(-oximidoethyl)ketone(2,5-Dimethoxyphenyl)(A-Osimidoethyl)Ketone1-(2,5-Dimethoxyphenyl)-2-oximino-1-propanone
Show more names
1-(2,5-dimethoxyphenyl)-1,2-propanedione 2-oxime1,2-Propanedione, 1-(2,5-dimethoxyphenyl)-, 2-oxime
Database identifiers
- CAS
121347-31-7- PubChem CID
- 6912166
- DTXSID
DTXSID70425988
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 397.8 · 397.8±42.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
济南百隆化学有限公司[email protected] · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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