3-(4-Nitro-phenyl)-acrylic acid methyl ester

HCID 219685

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Basic information

CAS: 1608-36-2
Standard SMILES: COC(=O)C=Cc1ccc([N+](=O)[O-])cc1
InChIKey: NVXKMHUNXMXXDM-UHFFFAOYSA-N
Molecular formula: C10H9NO4
Average molar mass: 207.18 g/mol
Monoisotopic mass: 207.05315777

Names & identifiers

Preferred name: 3-(4-Nitro-phenyl)-acrylic acid methyl ester
IUPAC: methyl 3-(4-nitrophenyl)prop-2-enoate
English name: Methyl 4-nitrocinnamate
Molecular formula: C10H9NO4
Molecular weight: 207.18

Names & synonyms

3-(4-Nitro-phenyl)-acrylic acid methyl esterMETHYL 4-NITROCINNAMATEmethyl p-nitrocinnamateSCHEMBL1231449NVXKMHUNXMXXDM-UHFFFAOYSA-NDTXSID201034684AAA63757AKOS030229184NSC 1323RARECHEM AL BF 0194Ho~BAHACnISdfyWUoaZ@BYhADpMethyl 3-(4-nitrophenyl)acrylate

Show more names

Methyl (2E)-3-(4-nitrophenyl)acrylatemethyl 3-(4-nitrophenyl)prop-2-enoate4-[2-(Methoxycarbonyl)vinyl]nitrobenzenemethyl (E)-3-(4-nitrophenyl)prop-2-enoate

Database identifiers

CAS: 1608-36-2
PubChem CID: 219685
DTXSID: DTXSID201034684

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 261

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 162 °C · 162 °C
Boiling point: 283.5 · 283.5±0.0 °C(Predicted)
Density: 1.277 · 1.277±0.06 g/cm3(Predicted)
FDA UNII: 3 Z8Y2N3P · QZ3Z8Y2N3P
EPA Substance Registry System: 2 · 2-Propenoic acid, 3-(4-nitrophenyl)-, methyl ester (1608-36-2)