Methyl 3-Hydroxy-5-nitrothiophene-2-carboxylate - CAS 89380-77-8
Catalog: |
BB039464 |
Product Name: |
Methyl 3-Hydroxy-5-nitrothiophene-2-carboxylate |
CAS: |
89380-77-8 |
Synonyms: |
3-hydroxy-5-nitro-2-thiophenecarboxylic acid methyl ester; methyl 3-hydroxy-5-nitrothiophene-2-carboxylate |
IUPAC Name: | methyl 3-hydroxy-5-nitrothiophene-2-carboxylate |
Description: | Methyl 3-Hydroxy-5-nitrothiophene-2-carboxylate (CAS# 89380-77-8) is a useful research chemical. |
Molecular Weight: | 203.17 |
Molecular Formula: | C6H5NO5S |
Canonical SMILES: | COC(=O)C1=C(C=C(S1)[N+](=O)[O-])O |
InChI: | InChI=1S/C6H5NO5S/c1-12-6(9)5-3(8)2-4(13-5)7(10)11/h2,8H,1H3 |
InChI Key: | CJHDSFKNSOHWCK-UHFFFAOYSA-N |
Boiling Point: | 329.379 °C / 760 mmHg |
Density: | 1.599 g/cm3 |
Storage: | Keep in dark place. Sealed in dry. Room temperature. |
MDL: | MFCD09260843 |
LogP: | 1.67170 |
Precautionary Statement: | P261-P305+P351+P338 |
Publication Number | Title | Priority Date |
WO-2021194321-A1 | Benzimidazole thiophene derivative compounds inducing selective degradation of plk1 | 20200327 |
EP-2079733-A2 | 5- and 6-substituted benzimidazole thiophene compounds | 20061031 |
JP-2010508301-A | 5-substituted and 6-substituted benzimidazole thiophene compounds | 20061031 |
US-2010056525-A1 | 5- and 6- substituted benzimidazole thiophene compounds | 20061031 |
WO-2008070354-A2 | 5- and 6- substituted benzimidazole thiophene compounds | 20061031 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.98884343 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.98884343 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 121 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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