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

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Computed Properties

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

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

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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

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