Methyl 2-(Allyloxy)propanoate - CAS 114209-13-1
Catalog: |
BB003320 |
Product Name: |
Methyl 2-(Allyloxy)propanoate |
CAS: |
114209-13-1 |
Synonyms: |
2-prop-2-enoxypropanoic acid methyl ester; methyl 2-prop-2-enoxypropanoate |
IUPAC Name: | methyl 2-prop-2-enoxypropanoate |
Description: | Methyl 2-(Allyloxy)propanoate (CAS# 114209-13-1 ) is a useful research chemical. |
Molecular Weight: | 144.17 |
Molecular Formula: | C7H12O3 |
Canonical SMILES: | CC(C(=O)OC)OCC=C |
InChI: | InChI=1S/C7H12O3/c1-4-5-10-6(2)7(8)9-3/h4,6H,1,5H2,2-3H3 |
InChI Key: | AVOXJNBYHWDVIG-UHFFFAOYSA-N |
Boiling Point: | 45 °C (1 mmHg) |
LogP: | 0.75050 |
Publication Number | Title | Priority Date |
US-2013102599-A1 | Pyrazolo [4,3-c] cinnolin-3-one m1 receptor positive allosteric modulators | 20110815 |
US-8653079-B2 | Pyrazolo [4,3-C] cinnolin-3-one M1 receptor positive allosteric modulators | 20110815 |
AU-2010216263-A1 | Pyrazolo [4,3-c] cinnolin-3-one M1 receptor positive allosteric modulators | 20090223 |
EP-2398324-A1 | PYRAZOLO [4,3-c]CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | 20090223 |
EP-2398324-B1 | PYRAZOLO [4,3-c]CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | 20090223 |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.078644241 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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