(4-Methoxyphenoxy)acetic Acid - CAS 1877-75-4

Catalog:	BB014445
Product Name:	(4-Methoxyphenoxy)acetic Acid
CAS:	1877-75-4
Synonyms:	2-(4-methoxyphenoxy)acetic acid; 2-(4-methoxyphenoxy)acetic acid

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Computed Properties

IUPAC Name:	2-(4-methoxyphenoxy)acetic acid
Description:	(4-Methoxyphenoxy)acetic Acid (CAS# 1877-75-4) is a useful research chemical, a metabolite of mefexamide in human urine samples.
Molecular Weight:	182.17
Molecular Formula:	C9H10O4
Canonical SMILES:	COC1=CC=C(C=C1)OCC(=O)O
InChI:	InChI=1S/C9H10O4/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:	BHFSBJHPPFJCOS-UHFFFAOYSA-N
Boiling Point:	328 °C at 760 mmHg
Density:	1.226 g/cm³
MDL:	MFCD00014360
LogP:	1.15860

Publication Number	Title	Priority Date
CN-111423397-A	Method for synthesizing 1-amino-4-methylpiperazine by catalytic hydrogenation	20200511
CN-111253326-A	2-substituted-4-functionalized N (O, S) -quinazol derivative and application thereof	20200317
CN-111253326-B	2-substituted-4-functionalized N (O, S) -quinazol derivative and application thereof	20200317
US-2021177867-A1	Compositions of bile acids and phenylbutyrate compounds	20191216
US-2021186990-A1	Methods and compositions for treating various disorders	20191216

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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

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.05790880
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.05790880
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2