3-Isobutoxybenzoic Acid - CAS 350997-58-9

Catalog:	BB022425
Product Name:	3-Isobutoxybenzoic Acid
CAS:	350997-58-9
Synonyms:	3-(2-methylpropoxy)benzoic acid; 3-(2-methylpropoxy)benzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(2-methylpropoxy)benzoic acid
Description:	3-Isobutoxybenzoic Acid (CAS# 350997-58-9) is a useful research chemical.
Molecular Weight:	194.23
Molecular Formula:	C11H14O3
Canonical SMILES:	CC(C)COC1=CC=CC(=C1)C(=O)O
InChI:	InChI=1S/C11H14O3/c1-8(2)7-14-10-5-3-4-9(6-10)11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)
InChI Key:	HNFBIJQQSNTRRR-UHFFFAOYSA-N
MDL:	MFCD01993662
LogP:	2.41960

Publication Number	Title	Priority Date
US-10092537-B2	Use for PAI-1 inhibitor	20130415
US-2016158188-A1	Novel use for pai-1 inhibitor	20130415
AU-2013211707-A1	Substituted phenylimidazopyrazoles and use thereof	20120125
CA-2862163-A1	Substituted phenylimidazopyrazoles and use thereof	20120125
CN-104411707-A	Substituted phenylimidazopyrazoles and use thereof	20120125

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.094294304
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.094294304
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4