4,4-Dimethoxytetrahydropyran-3-one - CAS 693245-80-6
Catalog: |
BB033775 |
Product Name: |
4,4-Dimethoxytetrahydropyran-3-one |
CAS: |
693245-80-6 |
Synonyms: |
4,4-dimethoxyoxan-3-one |
IUPAC Name: | 4,4-dimethoxyoxan-3-one |
Description: | 4,4-Dimethoxytetrahydropyran-3-one (CAS# 693245-80-6) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C7H12O4 |
Canonical SMILES: | COC1(CCOCC1=O)OC |
InChI: | InChI=1S/C7H12O4/c1-9-7(10-2)3-4-11-5-6(7)8/h3-5H2,1-2H3 |
InChI Key: | VSYYQDBTLGSLRK-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD18814922 |
LogP: | -0.03510 |
Publication Number | Title | Priority Date |
EA-035599-B1 | Muscarinic m1 receptor positive allosteric modulators | 20170413 |
AU-2017319609-A1 | Muscarinic M1 receptor positive allosteric modulators | 20160902 |
AU-2017319609-B2 | Muscarinic M1 receptor positive allosteric modulators | 20160902 |
CA-3034775-A1 | Muscarinic m1 receptor positive allosteric modulators | 20160902 |
EP-3507289-A1 | Muscarinic m1 receptor positive allosteric modulators | 20160902 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.07355886 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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