1,2,3-Trimethoxy-5-((1E)-2-nitro-1-propen-1-yl)benzene
Basic information
- CAS
38059-94-8- Standard SMILES
COc1cc(/C=C(\C)[N+](=O)[O-])cc(OC)c1OC- InChIKey
TUTKQLIXDCWWJG-VMPITWQZSA-N- Molecular formula
- C12H15NO5
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.09502258
Names & identifiers
- Preferred name
- 1,2,3-Trimethoxy-5-((1E)-2-nitro-1-propen-1-yl)benzene
- IUPAC
- 1,2,3-trimethoxy-5-[(E)-2-nitroprop-1-enyl]benzene
Names & synonyms
38059-94-81,2,3-Trimethoxy-5-[(1E)-2-nitro-1-propen-1-yl]benzene1,2,3-Trimethoxy-5-((1E)-2-nitro-1-propen-1-yl)benzeneRefChem:2147411,2,3-trimethoxy-5-(2-nitro-1-propen-1-yl)benzeneCambridge id 5402600Oprea1_170337SCHEMBL12468801,2,3-trimethoxy-5-[(E)-2-nitroprop-1-enyl]benzeneTUTKQLIXDCWWJG-VMPITWQZSA-N1,2,3-trimethoxy-5-[(1E)-2-nitroprop-1-en-1-yl]benzeneDTXSID801209532
Show more names
CCG-8049AKOS000609105BIM-0020176.P001ST50101263Z56755543(e)-2-nitro-1-(3',4',5'-trimethoxyphenyl)prop-1-ene5-((1E)-2-nitroprop-1-enyl)-1,2,3-trimethoxybenzene1,2,3-Trimethoxy-5-[(1E)-2-nitro-1-propenyl]benzene #
Database identifiers
- CAS
38059-94-8- PubChem CID
- 2063530
- DTXSID
DTXSID801209532- Nikkaji
- J2.610.970A、J385.116H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
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Compound notes
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