Molecular properties
- Formula
- C8H7NO4
- Molar mass
- 181.15 g·mol−1
- Exact mass
- 181.0375 Da
- 6
- PubChem CID
- 15207
Molecule record
(3-nitrophenyl) acetate
C8H7NO4
181.15 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Ester
Ether
Nitro compound
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 1523-06-4
- 3-ACETOXYNITROBENZENE
- 3-Nitrophenol, acetate
- ACETIC ACID,3-NITROPHENYL ESTER
- Acetic acid, 3-nitrophenyl ester
- CCG-44246
- D26M43ZB9X
- DS-006373
Show all 23 synonyms
- DTXCID0034934
- DTXSID0074550
- InChI=1/C8H7NO4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H
- NSC-33906
- NSC33906
- Oprea1_415699
- Q63408724
- RefChem:1068351
- SCHEMBL16962732
- SCHEMBL27373768
- SCHEMBL29787109
- SCHEMBL916164
- SCHEMBL9653775
- SR-01000634095-1
- m-nitrophenyl acetate
Structure identifiers
- Canonical SMILES
- CC(=O)Oc1cccc([N+](=O)[O-])c1
- Isomeric SMILES
- CC(=O)OC1=CC=CC(=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3
- InChIKey
- HRMRLUUZPLAPAS-UHFFFAOYSA-N
- PubChem CID
- 15207
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-nitrophenyl) acetate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for (3-nitrophenyl) acetate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.