Molecular properties
- Formula
- C10H11NO
- Molar mass
- 161.20 g·mol−1
- Exact mass
- 161.0841 Da
- 6
- PubChem CID
- 18676223
Molecule record
3-propoxybenzonitrile
C10H11NO
161.20 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Ether
Nitrile
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 467462-55-1
- AKOS000113902
- BVVMPMWDXLECHD-UHFFFAOYSA-N
- DB-379432
- EN300-53229
- G35016
- MFCD09703612
- SCHEMBL17046374
Show all 12 synonyms
- SCHEMBL2536496
- SCHEMBL74120
- STA46255
- Z54774652
Structure identifiers
- Canonical SMILES
- CCCOc1cccc(C#N)c1
- Isomeric SMILES
- CCCOC1=CC=CC(=C1)C#N
- InChI
- InChI=1S/C10H11NO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h3-5,7H,2,6H2,1H3
- InChIKey
- BVVMPMWDXLECHD-UHFFFAOYSA-N
- PubChem CID
- 18676223
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 3-propoxybenzonitrile; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-propoxybenzonitrile; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.