(4-Carbamoylphenoxy)acetic Acid - CAS 29936-86-5

Catalog:	BB020386
Product Name:	(4-Carbamoylphenoxy)acetic Acid
CAS:	29936-86-5
Synonyms:	2-(4-carbamoylphenoxy)acetic acid; 2-(4-carbamoylphenoxy)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-carbamoylphenoxy)acetic acid
Description:	(4-Carbamoylphenoxy)acetic Acid (CAS# 29936-86-5) is a useful research chemical.
Molecular Weight:	195.17
Molecular Formula:	C9H9NO4
Canonical SMILES:	C1=CC(=CC=C1C(=O)N)OCC(=O)O
InChI:	InChI=1S/C9H9NO4/c10-9(13)6-1-3-7(4-2-6)14-5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)
InChI Key:	FUKPHJNVITWAOX-UHFFFAOYSA-N
Boiling Point:	425.9 °C at 760 mmHg
Density:	1.362 g/cm³
LogP:	0.94920

Publication Number	Title	Priority Date
CA-2931022-A1	Imidazopyridine derivatives as modulators of tnf activity	20131209
CA-2931586-A1	Imidazopyridine derivatives as modulators of tnf activity	20131209
CN-105814046-A	Imidazopyridine derivatives as modulators of TNF activity	20131209
CN-105814053-A	Imidazopyridine derivatives as modulators of TNF activity	20131209
EP-3080117-A1	Imidazopyridine derivatives as modulators of tnf activity	20131209

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
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[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
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[1431966-64-1]
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[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

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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:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.05315777
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	195.05315777
Rotatable Bond Count:	4
Topological Polar Surface Area:	89.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6