3-Hydroxycarbofuran
PubChem CID: 27975
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| Compound Synonyms | 3-HYDROXYCARBOFURAN, 16655-82-6, 3-Hydroxy Carbofuran, Carbofuran-3-hydroxy, 3-Hydroxy-carbofuran, Carbofuran 3-oh, (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate, Carbofuran, 3-hydroxy, CCRIS 9207, BRN 1383873, 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate), 7J7N7A61BJ, 3-Hydroxy-2,2-dimethyl-2,3-dihydrobenzofuran-7-yl methylcarbamate, 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(N-methylcarbamate), Carbamic acid, methyl-, 2,3-dihydro-2,2-dimethyl-3-hydroxy-7-benzofuranyl ester, DTXSID2037506, 5-17-05-00204 (Beilstein Handbook Reference), 3-Hydroxycarbofuran 100 microg/mL in Acetonitrile, Carbofuran-3-hydroxy 100 microg/mL in Ethyl acetate, 2,3-Dihydro-2,2-dimethyl-3,7-benzofurandiol 7-(methylcarbamate), 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate) (9CI), 3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl N-methylcarbamate, UNII-7J7N7A61BJ, 3-OH-carbofuran, 1-((3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy)-N-methylmethanimidic acid, 1-[(3-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]-N-methylmethanimidic acid, Carbofuran-3-OH, 3-HYDROCARBOFURAN, 36550_RIEDEL, 37896_RIEDEL, SCHEMBL3400466, CHEMBL1867082, DTXCID0017506, CHEBI:174216, AKOS022181449, Carbamic acid, methyl-, 2,3-dihydro-3-hydroxy-2,2-dimethyl-7-benzofuranyl ester, 3-hydroxycarbofuran, MethylcarbaMic acid, NCGC00163948-01, 1ST20259, FH158348, PD076405, DB-357094, HY-116026, CS-0063552, NS00010315, Q27268397, Carbofuran-3-hydroxy, PESTANAL(R), analytical standard, (3-hydroxy-2,2-dimethyl-3H-1-benzouran-7-yl) N-methylcarbamate, 3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl- 7-(methylcarbamate), 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate, 3-Hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl methylcarbamate #, 625-078-9, Pesticide3_3-Hydroxycarbofuran_C12H15NO4_3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7-(methylcarbamate) |
|---|---|
| Topological Polar Surface Area | 67.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Description | Metabolite of Carbofuran in plants, insects and mammals. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 305.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10828, Q96RI1, Q16236 |
| Iupac Name | (3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate |
| Prediction Hob | 1.0 |
| Class | Benzofurans |
| Xlogp | 1.2 |
| Superclass | Organoheterocyclic compounds |
| Molecular Formula | C12H15NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RHSUJRQZTQNSLL-UHFFFAOYSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -3.195 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.405 |
| Synonyms | 2,3-Dihydro-2,2-dimethyl-3,7-benzofurandiol 7-(methylcarbamate), 3-hydroxycarbofuran, Carbofuran 3-oh, Carbofuran-3-hydroxy, Carbofuran, 3-hydroxy |
| Substituent Name | Benzofuran, Alkyl aryl ether, Benzenoid, Secondary alcohol, Oxacycle, Organic 1,3-dipolar compound, Propargyl-type 1,3-dipolar organic compound, Ether, Carboximidic acid derivative, Hydrocarbon derivative, Aromatic alcohol, Organooxygen compound, Organonitrogen compound, Imine, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | 3-Hydroxycarbofuran |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 237.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 237.1 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 237.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3473574705882347 |
| Inchi | InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15) |
| Smiles | CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oenanthe Javanica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all