Ethyl 6-(Methylsulfonyl)-2-pyridinecarboxylate - CAS 1186663-50-2
Catalog: |
BB004216 |
Product Name: |
Ethyl 6-(Methylsulfonyl)-2-pyridinecarboxylate |
CAS: |
1186663-50-2 |
Synonyms: |
6-methylsulfonyl-2-pyridinecarboxylic acid ethyl ester; ethyl 6-methylsulfonylpyridine-2-carboxylate |
IUPAC Name: | ethyl 6-methylsulfonylpyridine-2-carboxylate |
Description: | Ethyl 6-(Methylsulfonyl)-2-pyridinecarboxylate (CAS# 1186663-50-2 ) is a useful research chemical. |
Molecular Weight: | 229.25 |
Molecular Formula: | C9H11NO4S |
Canonical SMILES: | CCOC(=O)C1=NC(=CC=C1)S(=O)(=O)C |
InChI: | InChI=1S/C9H11NO4S/c1-3-14-9(11)7-5-4-6-8(10-7)15(2,12)13/h4-6H,3H2,1-2H3 |
InChI Key: | SZUYOKYMEIIFSM-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 1.74260 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.04087901 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.04087901 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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