2-Amino-4,5-dimethoxybenzoic Acid - CAS 5653-40-7

Catalog:	BB029390
Product Name:	2-Amino-4,5-dimethoxybenzoic Acid
CAS:	5653-40-7
Synonyms:	2-amino-4,5-dimethoxybenzoic acid; 2-amino-4,5-dimethoxybenzoic acid

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Computed Properties

IUPAC Name:	2-amino-4,5-dimethoxybenzoic acid
Description:	2-Amino-4,5-dimethoxybenzoic Acid (CAS# 5653-40-7) is a compound useful in organic synthesis.
Molecular Weight:	197.19
Molecular Formula:	C9H11NO4
Canonical SMILES:	COC1=C(C=C(C(=C1)C(=O)O)N)OC
InChI:	InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12)
InChI Key:	HJVAVGOPTDJYOJ-UHFFFAOYSA-N
Boiling Point:	359 °C
Density:	1.295 g/cm³
MDL:	MFCD00011671
LogP:	1.56540

Publication Number	Title	Priority Date
RU-2756790-C1	CHEMICAL SENSOR FOR THE DETERMINATION OF NITROAROMATIC EXPLOSIVES (EM): 10-(4,5-DI-p-TOLYL-1H-1,2,3-TRIAZOL-1-YL)-2,3-DIMETHOXY-PYRIDO[1,2-a]INDOLE	20201113
CN-111763214-A	Preparation method of icotinib	20200810
WO-2021211784-A2	Method of treating coronavirus infections	20200415
WO-2021155194-A1	Therapeutic peptides	20200129
WO-2021113062-A1	PDIA4 INHIBITORS AND USE THEREOF FOR INHIBITING ÃŸ-CELL PATHOGENESIS AND TREATING DIABETES	20191202

PMID	Publication Date	Title	Journal
22750342	20121101	Novel acid mono azo dye compound: synthesis, characterization, vibrational, optical and theoretical investigations of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-dimethoxybenzoic acid	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
15751107	20050501	Collision-induced fragmentation of negative ions from N-linked glycans derivatized with 2-aminobenzoic acid	Journal of mass spectrometry : JMS
11348192	20010419	First isolation and characterization of eight regioisomers for [60]fullerene-benzene bisadducts	Organic letters

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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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.06880783
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	197.06880783
Rotatable Bond Count:	3
Topological Polar Surface Area:	81.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3