3-Methoxybutanoic Acid - CAS 10024-70-1

Catalog:	BB000144
Product Name:	3-Methoxybutanoic Acid
CAS:	10024-70-1
Synonyms:	3-methoxybutanoic acid; 3-methoxybutanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-methoxybutanoic acid
Description:	3-Methoxybutanoic Acid (CAS# 10024-70-1) is a useful research chemical.
Molecular Weight:	118.13
Molecular Formula:	C5H10O3
Canonical SMILES:	CC(CC(=O)O)OC
InChI:	InChI=1S/C5H10O3/c1-4(8-2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI Key:	MXJDPWXQIVDAPH-UHFFFAOYSA-N
Boiling Point:	193.8 °C at 760 mmHg
Density:	1.05 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	0.49600

Publication Number	Title	Priority Date
WO-2015154023-A1	Substituted spirocydic inhibitors of autotaxin	20140404
WO-2013173488-A1	Antiviral compounds inhibitors of hcv ns5b	20120516
US-2014227228-A1	Chromobacterium formulations, compositions, metabloites and their uses	20111025
WO-2013049250-A1	Heterocyclic compounds as mdm2 inhibitors for the treatment of cancer	20110927
EP-2680840-A1	Novel benzodioxole piperidine compounds	20110303

PMID	Publication Date	Title	Journal
22456102	20120501	Structure of lipid A from a stem-nodulating bacterium Azorhizobium caulinodans	Carbohydrate research

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	79.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.062994177
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	118.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0