3,4-Dimethoxyphenylacetic acid - CAS 93-40-3

Name: 3,4-Dimethoxyphenylacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040907
Product Name:	3,4-Dimethoxyphenylacetic acid
CAS:	93-40-3
Synonyms:	2-(3,4-dimethoxyphenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(3,4-dimethoxyphenyl)acetic acid
Description:	3,4-Dimethoxyphenylacetic acid (CAS# 93-40-3) is a useful research chemical.
Molecular Weight:	196.20
Molecular Formula:	C10H12O4
Canonical SMILES:	COC1=C(C=C(C=C1)CC(=O)O)OC
InChI:	InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:	WUAXWQRULBZETB-UHFFFAOYSA-N
Boiling Point:	331.4 °C at 760 mmHg
Melting Point:	96 °C
Purity:	98 %
Density:	1.189 g/cm³
Appearance:	White to beige powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00004335
LogP:	1.33090

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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GHS Hazard Statement:	H315 (15.22%): 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

Publication Number	Title	Priority Date
WO-2021021953-A2	Dopamine receptor d1 agonists and methods of use	20190730
WO-2020216378-A1	Heterocyclic compound, application thereof, and composition containing same	20190426
WO-2020154728-A1	Formulations capable of reacting with or removal of molecular oxygen	20190126
WO-2020040017-A1	Medicinal product, anticancer agent, medicinal intermediate product, and method for producing cyclic carboxylic acid compound or derivative thereof	20180823
EP-3842045-A1	Medicinal product, anticancer agent, medicinal intermediate product, and method for producing cyclic carboxylic acid compound or derivative thereof	20180823

PMID	Publication Date	Title	Journal
22276180	20120101	Synthesis, biological evaluation and mechanism studies of deoxytylophorinine and its derivatives as potential anticancer agents	PloS one
21546882	20110505	Synthesis of homoveratric acid-imprinted polymers and their evaluation as selective separation materials	Molecules (Basel, Switzerland)
21588841	20101013	Tetra-kis[μ-2-(3,4-dimeth-oxy-phen-yl)acetato]-κO,O:O;κO:O,O;κO:O-bis-{[2-(3,4-dimeth-oxy-phen-yl)acetato-κO,O](1,10-phenanthroline-κN,N')erbium(III)}	Acta crystallographica. Section E, Structure reports online
21588817	20101009	Tetra-kis[μ-2-(3,4-dimeth-oxy-phen-yl)acetato]-κO:O';κO,O':O;κO:O,O'-bis-{[2-(3,4-dimeth-oxy-phen-yl)acetato-κO,O'](1,10-phenanthroline-κN,N')samarium(III)}	Acta crystallographica. Section E, Structure reports online
21587417	20100918	Tetra-kis(μ-3,4-dimeth-oxy-phenyl-acetato)-bis-[(3,4-dimeth-oxy-phenyl-acetato)(1,10-phenanthroline)holmium(III)]	Acta crystallographica. Section E, Structure reports online

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.07355886
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.07355886
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1