3-(furan-2-yl)-2-methylpropanoic acid - CAS 6969-36-4

Catalog:	BB033930
Product Name:	3-(furan-2-yl)-2-methylpropanoic acid
CAS:	6969-36-4
Synonyms:	3-(2-furanyl)-2-methylpropanoic acid; 3-(furan-2-yl)-2-methylpropanoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(furan-2-yl)-2-methylpropanoic acid
Description:	3-(furan-2-yl)-2-methylpropanoic acid (CAS# 6969-36-4) is a useful research chemical.
Molecular Weight:	154.165
Molecular Formula:	C8H10O3
Canonical SMILES:	CC(CC1=CC=CO1)C(=O)O
InChI:	InChI=1S/C8H10O3/c1-6(8(9)10)5-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H,9,10)
InChI Key:	BAMODTDOWULALQ-UHFFFAOYSA-N
Boiling Point:	252.7 °C at 760 mmHg
Density:	1.158 g/cm³
LogP:	1.54280

Publication Number	Title	Priority Date
WO-2017220302-A1	Enzyme stabilizers	20160622
US-2017152443-A1	Liquid crystal alignment agent, liquid crystal alignment film, and liquid crystal display element	20151201
EP-3313998-A1	Method for the production of isoamyl alcohol	20150626
EP-3313998-B1	Method for the enzymatic production of isoamyl alcohol	20150626
WO-2016207267-A1	Method for the production of isoamyl alcohol	20150626

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Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.062994177
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4