α-Methoxyphenylacetic acid - CAS 7021-09-2

Catalog:	BB034103
Product Name:	α-Methoxyphenylacetic acid
CAS:	7021-09-2
Synonyms:	2-methoxy-2-phenylacetic acid

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Computed Properties

IUPAC Name:	2-methoxy-2-phenylacetic acid
Description:	α-Methoxyphenylacetic acid (CAS# 7021-09-2) is a useful research chemical.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	COC(C1=CC=CC=C1)C(=O)O
InChI:	InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)
InChI Key:	DIWVBIXQCNRCFE-UHFFFAOYSA-N
Boiling Point:	165 °C (18 mmHg)
Melting Point:	68-72 °C
Purity:	95 %
Appearance:	Off-white to light beige crystalline powder
MDL:	MFCD00064217
LogP:	1.45870

Publication Number	Title	Priority Date
WO-2021198827-A1	Diagnostic device	20200331
WO-2021202260-A1	Diagnostic device	20200331
US-2021301175-A1	Polishing composition	20200330
JP-2021158278-A	Polishing composition, manufacturing method of polishing composition, polishing method and manufacturing method of semiconductor substrate	20200327
JP-2021152138-A	Polishing composition	20200323

PMID	Publication Date	Title	Journal
22344605	20120401	Evaluation of (R)-(-)-α-methoxy phenyl acetic acid as a chiral shift reagent for resolution and determination of R and S enantiomers of modafinil in bulk drugs and formulations by 1H NMR spectroscopy	Chirality
22253063	20120301	First isolation of disubstituted cis-5,6-dihydro-1,10-phenanthrolines. Lipase-mediated resolution of cis- and trans-phenoxy alcohol isomers and assignment of absolute stereochemistry via CD and NMR spectroscopy	Chirality
21539299	20110606	Gd(III)[15-metallacrown-5] recognition of chiral α-amino acid analogues	Inorganic chemistry
21195438	20110201	The recurvatianes: a suite of oxygenated guaiane sesquiterpenes from Perezia recurvata	Phytochemistry
20822959	20101201	Biomarkers of immunoregulatory status in stable liver transplant recipients undergoing weaning of immunosuppressive therapy	Clinical immunology (Orlando, Fla.)

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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:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4