Methyl 3-Hydroxy-3-methylbutyrate - CAS 6149-45-7
Catalog: |
BB031143 |
Product Name: |
Methyl 3-Hydroxy-3-methylbutyrate |
CAS: |
6149-45-7 |
Synonyms: |
3-hydroxy-3-methylbutanoic acid methyl ester; methyl 3-hydroxy-3-methylbutanoate |
IUPAC Name: | methyl 3-hydroxy-3-methylbutanoate |
Description: | Methyl 3-Hydroxy-3-methylbutyrate (CAS# 6149-45-7) is a useful research chemical. |
Molecular Weight: | 132.16 |
Molecular Formula: | C6H12O3 |
Canonical SMILES: | CC(C)(CC(=O)OC)O |
InChI: | InChI=1S/C6H12O3/c1-6(2,8)4-5(7)9-3/h8H,4H2,1-3H3 |
InChI Key: | JNURPEZKOSMRMZ-UHFFFAOYSA-N |
LogP: | 0.32040 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021161283-A1 | Compounds for treating coronavirus infection | 20200214 |
JP-2020063240-A | Process for producing aliphatic carboxylic acid compound, and pyridine compound adduct of aliphatic ketone compound | 20181015 |
JP-2020023456-A | Ester composition, (meth) acrylate composition, method for producing ester composition, method for producing (meth) acrylate composition | 20180808 |
JP-2020026428-A | Ester compound, ester composition, (meth) acrylate compound, and cured product, and method for producing ester compound and method for producing (meth) acrylate compound | 20180808 |
WO-2016198971-A1 | Compositions and methods for the treatment of hyperglycemia and metabolic syndrome | 20150608 |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.078644241 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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