2-Formylphenoxyacetic acid - CAS 6280-80-4

Name: 2-Formylphenoxyacetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031814
Product Name:	2-Formylphenoxyacetic acid
CAS:	6280-80-4
Synonyms:	2-(2-formylphenoxy)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(2-formylphenoxy)acetic acid
Description:	2-Formylphenoxyacetic acid (CAS# 6280-80-4) is a useful research chemical.
Molecular Weight:	180.16
Molecular Formula:	C9H8O4
Canonical SMILES:	C1=CC=C(C(=C1)C=O)OCC(=O)O
InChI:	InChI=1S/C9H8O4/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-5H,6H2,(H,11,12)
InChI Key:	ANWMNLAAFDCKMT-UHFFFAOYSA-N
Boiling Point:	364 °C at 760 mmHg
Melting Point:	129.5-132 °C
Purity:	95 %
Density:	1.43 g/cm³ (20 °C)
Appearance:	Light brown crystalline powder
MDL:	MFCD00003315
LogP:	0.96250

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
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]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H302 (20%): 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
WO-2020217250-A2	Method for metal-free purification of protein from a protein mixture or a cell lysate with the n-terminus glycine tagging	20190422
WO-2020110008-A1	Cyclic pentamer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorder	20181127
WO-2020032813-A1	New 5-substituted derivatives of 5-hydrazino-3-methylisothiazole-4- acid carboxylic acid with anti-tumor activity and the method of their preparation and uses	20180809
WO-2019152911-A1	Novel small molecule drug conjugates of gemcitabine derivatives	20180202
WO-2019152955-A1	Small molecule drug conjugates of gemcitabine monophosphate	20180202

PMID	Publication Date	Title	Journal
22902573	20121101	Design, synthesis and DNA binding activities of late first row transition metal(II) complexes of bi- functional tri - and tetratopic imines	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21200749	20071206	N,N-Bis[2-(ethoxy-carbonyl-meth-oxy)-benzyl-idene]pyridine-2,6-dicarbohydrazide	Acta crystallographica. Section E, Structure reports online
17846575	20070222	Synthesis, characterization and antibacterial activity of azomethine derivatives derived from 2-formylphenoxyacetic acid	Molecules (Basel, Switzerland)
17154491	20061116	Novel selective orally active CRTH2 antagonists for allergic inflammation developed from in silico derived hits	Journal of medicinal chemistry
17962791	20060317	Synthesis and spectroscopic studies of new Schiff bases	Molecules (Basel, Switzerland)

Complexity:	190
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