2-Propenoic acid, 4-nitrophenyl ester
Basic information
- CAS
2123-85-5- Standard SMILES
C=CC(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
PSRGGEQXKSZPRF-UHFFFAOYSA-N- Molecular formula
- C9H7NO4
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.0375077
Names & identifiers
- Preferred name
- 2-Propenoic acid, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) prop-2-enoate
- English name
- 4-Nitrophenyl acrylate
- Molecular formula
- C9H7NO4
- Molecular weight
- 193.16
Names & synonyms
2123-85-52-Propenoic acid, 4-nitrophenyl esterDTXSID70175476NSC 144290AI3-61962RefChem:266371DTXCID90979674-NITROPHENYL ACRYLATE(4-nitrophenyl) prop-2-enoatep-nitrophenyl acrylateMFCD000805894-nitrophenyl prop-2-enoate
Show more names
acrylic acid (4-nitrophenyl) ester
SCHEMBL2268944-Nitrophenyl acrylate, 97%NSC144290OM0447NSC-144290SY513828H54516
Database identifiers
- CAS
2123-85-5- PubChem CID
- 97687
- DTXSID
DTXSID70175476- Nikkaji
- J733.334J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 61 °C · 61°C
- Boiling point
- 334.9 · 334.9±21.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
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
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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