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2,2-Dimethyl-2,3-dihydrobenzofuran-7-carboxylic Acid

2,2-Dimethyl-2,3-dihydrobenzofuran-7-carboxylic Acid - CAS 42327-95-7

Catalog:	BB025105
Product Name:	2,2-Dimethyl-2,3-dihydrobenzofuran-7-carboxylic Acid
CAS:	42327-95-7
Synonyms:	2,2-dimethyl-3H-benzofuran-7-carboxylic acid; 2,2-dimethyl-3H-1-benzofuran-7-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2-dimethyl-3H-1-benzofuran-7-carboxylic acid
Description:	2,2-Dimethyl-2,3-dihydrobenzofuran-7-carboxylic Acid (CAS# 42327-95-7) is a useful research chemical.
Molecular Weight:	192.21
Molecular Formula:	C11H12O3
Canonical SMILES:	CC1(CC2=CC=CC(=C2O1)C(=O)O)C
InChI:	InChI=1S/C11H12O3/c1-11(2)6-7-4-3-5-8(10(12)13)9(7)14-11/h3-5H,6H2,1-2H3,(H,12,13)
InChI Key:	AVVACPBRCFXZMR-UHFFFAOYSA-N
Boiling Point:	322.4 °C at 760 mmHg
Density:	1.197 g/cm³
Appearance:	Solid
LogP:	2.09830

Publication Number	Title	Priority Date
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
WO-2019152847-A1	Disease detection and treatment based on trimethyl-lysine levels	20180201
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EP-3641748-A1	Treating disease and promoting weight loss by inhibiting the tma/fmo3/tmao pathway	20170619

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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
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	247
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.078644241
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.078644241
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2