4-Hydroxy-3-nitrophenylacetic acid
PubChem CID: 447364
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| Compound Synonyms | 4-Hydroxy-3-nitrophenylacetic acid, 10463-20-4, 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID, (4-hydroxy-3-nitrophenyl)acetic acid, Benzeneacetic acid, 4-hydroxy-3-nitro-, CHEBI:546274, 3-nitro-4-hydroxyphenylacetic acid, MFCD00007122, NO2HPA, 3-Nitro-4-hydroxy phenylacetic acid, 4-hydroxy-5-nitrophenyl acetic acid, 4-OHNOPHAX, Epitope ID:158629, SCHEMBL231627, CHEMBL501822, HMS3604M07, 4-hydroxy-3-nitrobenzeneacetic acid, 3-nitro 4-hydroxyphenyl acetic acid, 4-hydroxy-3-nitrophenyl acetic acid, BBL020928, STK893634, 4-Hydroxy-3-nitrobenzene-acetic acid, AKOS001476531, CS-W001085, DB08294, FH24240, BP-12837, PD004586, SY005238, 4-Hydroxy-3-nitrophenylacetic acid, 99%, DB-040553, H1362, NS00051925, 2-(4-HYDROXY-3-NITROPHENYL)ACETICACID, EN300-1091725, 2X-0807, Q27097517, Z1203162039, 233-948-0, InChI=1/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12 |
|---|---|
| Topological Polar Surface Area | 103.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-hydroxy-3-nitrophenyl)acetic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Is Pains | False |
| Molecular Formula | C8H7NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QBHBHOSRLDPIHG-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 4-Hydroxy-3-nitrophenylacetic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 197.032 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 197.032 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 197.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.107548057142857 |
| Inchi | InChI=1S/C8H7NO5/c10-7-2-1-5(4-8(11)12)3-6(7)9(13)14/h1-3,10H,4H2,(H,11,12) |
| Smiles | C1=CC(=C(C=C1CC(=O)O)[N+](=O)[O-])O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Viola Philippica (Plant) Rel Props:Source_db:cmaup_ingredients