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Structure
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| Relationships |
Total Number of functionally related protein(s) :
67
Total Number of Articles : 108
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| PubChem |
13243
|
| Molecular Formula |
C8H7NO4 |
| SMILES |
CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChI |
InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3 |
| synonyms |
- 4-Nitrophenyl acetate
- 830-03-5
- p-Acetoxynitrobenzene
- P-NITROPHENYL ACETATE
- Acetic acid, 4-nitrophenyl ester
- p-Nitrophenyl acetate (VAN)
- NSC 2633
- para-nitrophenyl acetate
- EINECS 212-593-5
- UNII-I902J0QH9S
- BRN 0515874
- I902J0QH9S
- CHEBI:82635
- PNP-ACETATE
- AI3-00496
- NSC-2633
- 4-O2NC6H4OAc
- P-ACETOXY NITROBENZEN
- P-NITROPHENYL ACETATES
- DTXSID2061191
- 4-06-00-01298 (Beilstein Handbook Reference)
- pAcetoxynitrobenzene
- pNitrophenol acetate
- pNitrophenyl acetate
- Acetic acid pnitrophenyl ester
- Acetic acid, pnitrophenyl ester
- Acetic acid, 4nitrophenyl ester
- DTXCID0048341
- qauudnigjslpsx-uhfffaoysa-n
- p-Nitrophenol acetate
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| Properties |
| Property |
Value |
| MW |
181.15 g/mol |
| HBD |
0 |
| HBA |
4 |
| Rotatable Bond Count |
2 |
| Exact Mass |
181.03750770 g/mol |
| Monoisotopic Mass |
181.03750770 g/mol |
| Heavy Atom Count |
13 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
203 |
| xlogp |
1.5 |
| Topological Polar Surface Area |
72.1 |
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