Methyl 4-Methyltetrahydropyran-4-carboxylate - CAS 443912-70-7
Catalog: |
BB025590 |
Product Name: |
Methyl 4-Methyltetrahydropyran-4-carboxylate |
CAS: |
443912-70-7 |
Synonyms: |
4-methyl-4-oxanecarboxylic acid methyl ester; methyl 4-methyloxane-4-carboxylate |
IUPAC Name: | methyl 4-methyloxane-4-carboxylate |
Description: | Methyl 4-Methyltetrahydropyran-4-carboxylate (CAS# 443912-70-7) is a useful research chemical. |
Molecular Weight: | 158.19 |
Molecular Formula: | C8H14O3 |
Canonical SMILES: | CC1(CCOCC1)C(=O)OC |
InChI: | InChI=1S/C8H14O3/c1-8(7(9)10-2)3-5-11-6-4-8/h3-6H2,1-2H3 |
InChI Key: | LWZSTDVWNKMIFQ-UHFFFAOYSA-N |
LogP: | 0.97610 |
Publication Number | Title | Priority Date |
EP-3644991-A1 | 3-(1h-pyrazol-4-yl)pyridine allosteric modulators of the m4 muscarinic acetylcholine receptor | 20170627 |
WO-2019000237-A1 | ALLOSTERIC MODULATORS OF 3- (1H-PYRAZOL-4-YL) PYRIDINE FROM THE M4 ACETYLCHOLINE MUSCARINIC RECEPTOR | 20170627 |
WO-2019005588-A1 | ACETYLCHOLINE M4 MUSCARINIC RECEPTOR TYPE 3- (1H-PYRAZOL-4-YL) PYRIDINE MODULATORS | 20170627 |
WO-2017005668-A1 | ARYL SULTAM DERIVATIVES AS RORc MODULATORS | 20150708 |
CN-107614501-B | Hydroxyl purine compound and application thereof | 20150520 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.094294304 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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