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Structure
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| Relationships |
Total Number of functionally related protein(s) :
19
Total Number of Articles : 18
|
| PubChem |
4661
|
| Molecular Formula |
C8H7NO4 |
| SMILES |
C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-] |
| InChI |
InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11) |
| synonyms |
- 4-Nitrophenylacetic acid
- 104-03-0
- p-nitrophenylacetic acid
- 2-(4-NITROPHENYL)ACETIC ACID
- (4-Nitrophenyl)acetic acid
- 4-Nitrobenzeneacetic acid
- Benzeneacetic acid, 4-nitro-
- 2-(p-Nitrophenyl)acetic acid
- Acetic acid, (p-nitrophenyl)-
- MFCD00007383
- KLB4P626RE
- (4-Nitro-phenyl)-acetic acid
- NSC-5398
- 4-nitrophenylaceticacid
- (p-Nitrophenyl)acetic acid
- 1ajn
- CCRIS 2338
- 4-Nitrophenylaetic acid
- NSC 5398
- 4-Nitrobenzencacetic Acid
- EINECS 203-168-5
- UNII-KLB4P626RE
- 4-nitro-Benzeneacetic acid,
- AI3-15093
- p-nitrophenyl acetic acid
- 4-Nitrophenylacetate acid
- 4-nitrophenyl acetic acid
- (p-nitrophenyl) acetic acid
- (4-nitrophenyl)-acetic acid
- Oprea1_127303
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| Properties |
| Property |
Value |
| MW |
181.15 g/mol |
| HBD |
1 |
| 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 |
1.4 |
| Topological Polar Surface Area |
83.1 |
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