Molecular properties
- Formula
- C9H9NO2
- Molar mass
- 163.18 g·mol−1
- Exact mass
- 163.0633 Da
- 6
- PubChem CID
- 10197841
Molecule record
1-nitro-3-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-3-nitrobenzene
- 1-nitro-3-(prop-2-en-1-yl)benzene
- 123158-61-2
- 3-(2-propenyl)-nitrobenzene
- 3-(2-propenyl)nitrobenzene
- 3-allylnitrobenzene
- DB-311772
- EN300-698341
Show all 11 synonyms
- PKRZOCHBKRVRNC-UHFFFAOYSA-N
- SCHEMBL4521999
- SCHEMBL7077091
Structure identifiers
- Canonical SMILES
- C=CCc1cccc([N+](=O)[O-])c1
- Isomeric SMILES
- C=CCC1=CC(=CC=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C9H9NO2/c1-2-4-8-5-3-6-9(7-8)10(11)12/h2-3,5-7H,1,4H2
- InChIKey
- PKRZOCHBKRVRNC-UHFFFAOYSA-N
- PubChem CID
- 10197841
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-3-prop-2-enylbenzene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1-nitro-3-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.