4-Formylphenoxyacetic acid - CAS 22042-71-3

Name: 4-Formylphenoxyacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017315
Product Name:	4-Formylphenoxyacetic acid
CAS:	22042-71-3
Synonyms:	2-(4-formylphenoxy)acetic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-formylphenoxy)acetic acid
Description:	4-Formylphenoxyacetic acid (CAS# 22042-71-3) is a useful research chemical.
Molecular Weight:	180.16
Molecular Formula:	C9H8O4
Canonical SMILES:	C1=CC(=CC=C1C=O)OCC(=O)O
InChI:	InChI=1S/C9H8O4/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
InChI Key:	OYNIIKHNXNPSAG-UHFFFAOYSA-N
Boiling Point:	373.2 °C at 760 mmHg
Melting Point:	193-196 °C
Purity:	99 %
Density:	1.322 g/cm³
Appearance:	Beige crystalline powder
Storage:	2-8 °C
MDL:	MFCD00016613
LogP:	0.96250

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111592530-A	Acldoxime-containing tacrine derivative selective butyrylcholinesterase inhibitor and preparation method and application thereof	20200518
CN-111592530-B	Acldoxime-containing tacrine derivative selective butyrylcholinesterase inhibitor and preparation method and application thereof	20200518
WO-2021191333-A1	Modified dna-encoded chemical library and methods related thereto	20200327
CN-110551067-A	Multi-target tacrine derivative and preparation method and application thereof	20190919
CN-110551067-B	Multi-target tacrine derivative and preparation method and application thereof	20190919

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.04225873
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.04225873
Rotatable Bond Count:	4
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8