2-Methoxybutyric Acid - CAS 56674-69-2

Catalog:	BB029457
Product Name:	2-Methoxybutyric Acid
CAS:	56674-69-2
Synonyms:	2-methoxybutanoic acid; 2-methoxybutanoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-methoxybutanoic acid
Description:	2-Methoxybutyric Acid (CAS# 56674-69-2) is a useful research chemical.
Molecular Weight:	118.13
Molecular Formula:	C5H10O3
Canonical SMILES:	CCC(C(=O)O)OC
InChI:	InChI=1S/C5H10O3/c1-3-4(8-2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI Key:	GVSTYPOYHNVKHY-UHFFFAOYSA-N
Boiling Point:	214.513 °C at 760 mmHg
Density:	1.051 g/cm³
MDL:	MFCD09864397
LogP:	0.49600

Publication Number	Title	Priority Date
JP-2021080175-A	Organic ammonium salt and hydrogen-bonding material handling agent using it	20191114
WO-2021095398-A1	Organic ammonium salt and hydrogen bond material treating agent using same	20191114
WO-2021074281-A1	Substituted azacyles as trmp8 modulators	20191017
WO-2020166674-A1	Composition containing organic ammonium salt	20190213
WO-2020166678-A1	Cosmetic ingredient, cosmetic, and production method for cosmetic	20190213

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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:	0.6