Methyl 3-(2-methoxy-5-nitrophenyl)acrylate
Basic information
- CAS
94006-37-8- Standard SMILES
COC(=O)/C=C/c1cc([N+](=O)[O-])ccc1OC- InChIKey
OWLBJCIGCQVGCE-ZZXKWVIFSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- Methyl 3-(2-methoxy-5-nitrophenyl)acrylate
- IUPAC
- methyl (E)-3-(2-methoxy-5-nitrophenyl)prop-2-enoate
- English name
- methyl 3-(2-methoxy-5-nitrophenyl)acrylate
- Molecular formula
- C11H11NO5
- Molecular weight
- 237.21
Names & synonyms
Methyl 3-(2-methoxy-5-nitrophenyl)acrylate94006-37-8EINECS 301-374-0RefChem:354641301-374-0SCHEMBL6981756OWLBJCIGCQVGCE-ZZXKWVIFSA-NNS000637973-(5-Nitro-2-methoxyphenyl)propenoic acid methyl ester3-(2-Methoxy-5-nitrophenyl)propenoic acid methyl ester
Database identifiers
- CAS
94006-37-8- PubChem CID
- 6366361
- EC Number
- 301-374-0
- Nikkaji
- J3.037.929B、J367.902K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 388.669 · 388.669±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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