3,4-Methylenedioxyphenyl-2-propanone-2-oxime
Basic information
- CAS
136056-99-0- Standard SMILES
C/C(Cc1ccc2c(c1)OCO2)=N\O- InChIKey
OHIFAOJHDDQCEV-YRNVUSSQSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- 3,4-Methylenedioxyphenyl-2-propanone-2-oxime
- IUPAC
- (NE)-N-[1-(1,3-benzodioxol-5-yl)propan-2-ylidene]hydroxylamine
Names & synonyms
Mdpp oxime3,4-Methylenedioxyphenyl-2-propanone-2-oxime1-(3,4-Methylenedioxyphenyl-2-propanone oxime136056-99-0OHIFAOJHDDQCEV-YRNVUSSQSA-NDTXSID401344421AKOS0062783331-(3,4-Methylenedioxyphenyl)-2-propanone-2-oxime(2E)-1-(1,3-Benzodioxol-5-yl)-2-propanone oxime(2E)-1-(1,3-Benzodioxol-5-yl)-2-propanone oxime #
Database identifiers
- CAS
136056-99-0- PubChem CID
- 9603038
- DTXSID
DTXSID401344421- Nikkaji
- J1.379.614I、J2.827.575G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
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Compound notes
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