Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate - CAS 113387-75-0
Catalog: |
BB048984 |
Product Name: |
Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate |
CAS: |
113387-75-0 |
Synonyms: |
methyl 3-hydroxy-5-pyrazolylthiophene-2-carboxylate; Methyl 3-hydroxy-5-(1-pyrazolyl)thiophene-2-carboxylate; 2-Thiophenecarboxylic acid, 3-hydroxy-5-(1H-pyrazol-1-yl)-, methyl ester; Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)-2-thiophenecarboxylate |
IUPAC Name: | methyl 3-hydroxy-5-pyrazol-1-ylthiophene-2-carboxylate |
Description: | Methyl 3-hydroxy-5-(1H-pyrazol-1-yl)thiophene-2-carboxylate (CAS# 113387-75-0 ) is a useful research chemical. |
Molecular Weight: | 224.24 |
Molecular Formula: | C9H8N2O3S |
Canonical SMILES: | COC(=O)C1=C(C=C(S1)N2C=CC=N2)O |
InChI: | InChI=1S/C9H8N2O3S/c1-14-9(13)8-6(12)5-7(15-8)11-4-2-3-10-11/h2-5,12H,1H3 |
InChI Key: | UQUBVSSBJVKZNS-UHFFFAOYSA-N |
Boiling Point: | 386.4±42.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.0255633 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.0255633 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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