2-Nitrosobenzoic acid
PubChem CID: 345165
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| Compound Synonyms | 2-Nitrosobenzoic acid, o-Nitrosobenzoic acid, 2-Carboxynitrosobenzene, Benzoic acid, 2-nitroso-, Benzoic acid, o-nitroso-, 612-27-1, NSC 402579, DTXSID00210102, NSC402579, NSC-402579, 2-Nitrosobenzoate, 2-Nitrosobenzoic acid #, SH9C2A66VD, SCHEMBL1081928, DTXCID60132593, MFCD18826000, AKOS022504717, DB-274492 |
|---|---|
| Topological Polar Surface Area | 66.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-nitrosobenzoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C7H5NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZGKDNJHGCZXEGY-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -1.68 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.62 |
| Compound Name | 2-Nitrosobenzoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 151.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 151.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6029865636363632 |
| Inchi | InChI=1S/C7H5NO3/c9-7(10)5-3-1-2-4-6(5)8-11/h1-4H,(H,9,10) |
| Smiles | C1=CC=C(C(=C1)C(=O)O)N=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients