Molecular properties
- Formula
- C9H9NO2
- Molar mass
- 163.18 g·mol−1
- Exact mass
- 163.0633 Da
- 6
- PubChem CID
- 595953
Molecule record
1-nitro-4-prop-2-enylbenzene
C9H9NO2
163.18 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkene
Aromatic ring
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1-Allyl-4-nitrobenzene
- 1-Allyl-4-nitrobenzene #
- 1-NITRO-4-(PROP-2-EN-1-YL)BENZENE
- 1-allyl-4-nitro-benzene
- 4-allylnitrobenzene
- 53483-17-3
- DB-311777
- DTXCID60295399
Show all 15 synonyms
- DTXSID90344324
- EN300-698401
- RefChem:367569
- SCHEMBL1169849
- SCHEMBL3936619
- UCHCAUUKJXSNAT-UHFFFAOYSA-N
- p-Allylnitrobenzene
Structure identifiers
- Canonical SMILES
- C=CCc1ccc([N+](=O)[O-])cc1
- Isomeric SMILES
- C=CCC1=CC=C(C=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C9H9NO2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2,4-7H,1,3H2
- InChIKey
- UCHCAUUKJXSNAT-UHFFFAOYSA-N
- PubChem CID
- 595953
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1-nitro-4-prop-2-enylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-nitro-4-prop-2-enylbenzene; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.