CAS 1487-49-6 | Butanoic acid, 3-hydroxy-, methyl ester | CAS Number 1487-49-6

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1487-49-6 | Butanoic acid, 3-hydroxy-, methyl ester

CAS No: 1487-49-6 Catalog No: AG001L4R MDL No:MFCD00129999

Product Description

Catalog Number:

AG001L4R

Chemical Name:

Butanoic acid, 3-hydroxy-, methyl ester

CAS Number:

1487-49-6

Molecular Formula:

C5H10O3

Molecular Weight:

118.1311

MDL Number:

MFCD00129999

IUPAC Name:

methyl 3-hydroxybutanoate

InChI:

InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3

InChI Key:

LDLDJEAVRNAEBW-UHFFFAOYSA-N

SMILES:

COC(=O)CC(O)C

EC Number:

216-068-1

FEMA Number:

4450

Properties

Complexity:

79.7

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

118.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

118.132g/mol

Monoisotopic Mass:

118.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
Engineering yield and rate of reductive biotransformation in Escherichia coli by partial cyclization of the pentose phosphate pathway and PTS-independent glucose transport.	Applied microbiology and biotechnology 20120201
Biosynthesis and characterization of copolymer poly(3HB-co-3HV) from saponified Jatropha curcas oil by Pseudomonas oleovorans.	Journal of industrial microbiology & biotechnology 20100801
Enatiomerically pure hydroxycarboxylic acids: current approaches and future perspectives.	Applied microbiology and biotechnology 20100601
New automated and high-throughput quantitative analysis of urinary ketones by multifiber exchange-solid phase microextraction coupled to fast gas chromatography/negative chemical-electron ionization/mass spectrometry.	Journal of automated methods & management in chemistry 20100101
Short- and long-term consequences on biochemical markers after fundectomy in pigs supplemented with 3-hydroxy-3-methylbutyrate and alpha-ketoglutarate.	Berliner und Munchener tierarztliche Wochenschrift 20100101
Metabolomics for biotransformations: Intracellular redox cofactor analysis and enzyme kinetics offer insight into whole cell processes.	Biotechnology and bioengineering 20091001
Application of (R)-3-hydroxyalkanoate methyl esters derived from microbial polyhydroxyalkanoates as novel biofuels.	Biomacromolecules 20090413
The effect of 3-hydroxybutyrate methyl ester on learning and memory in mice.	Biomaterials 20090301
Carbonylative ring opening of terminal epoxides at atmospheric pressure.	The Journal of organic chemistry 20071207
The effect of 3-hydroxybutyrate and its derivatives on the growth of glial cells.	Biomaterials 20070901
Use of headspace solid-phase microextraction for the quantification of poly(3-hydroxybutyrate) in microbial cells.	Journal of chromatography. A 20070622
Rapid microwave assisted esterification method for the analysis of poly-3-hydroxybutyrate in Alcaligenes latus by gas chromatography.	Journal of chromatography. A 20070622
From terpenoids to aliphatic acids: further evidence for late-instar switch in osmeterial defense as a characteristic trait of swallowtail butterflies in the tribe papilionini.	Journal of chemical ecology 20060901
Enthalpy change on mixing a couple of S- and R-enantiomers of some chiral compounds at 298.15 K.	Chirality 20060801
Enantioselective total synthesis of batzelladine F and definition of its structure.	Journal of the American Chemical Society 20060301
New strategy for the total synthesis of macrosphelides a and B based on ring-closing metathesis.	Organic letters 20030807
Characterization of partially transesterified poly(beta-hydroxyalkanoate)s by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry.	Journal of AOAC International 20010101