4-Methoxy-3-methylphenylacetic Acid - CAS 4513-73-9

Catalog:	BB025773
Product Name:	4-Methoxy-3-methylphenylacetic Acid
CAS:	4513-73-9
Synonyms:	2-(4-methoxy-3-methylphenyl)acetic acid; 2-(4-methoxy-3-methylphenyl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(4-methoxy-3-methylphenyl)acetic acid
Description:	4-Methoxy-3-methylphenylacetic Acid (CAS# 4513-73-9) is a useful research chemical.
Molecular Weight:	180.20
Molecular Formula:	C10H12O3
Canonical SMILES:	CC1=C(C=CC(=C1)CC(=O)O)OC
InChI:	InChI=1S/C10H12O3/c1-7-5-8(6-10(11)12)3-4-9(7)13-2/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:	GYBWDAKGSPTODN-UHFFFAOYSA-N
Boiling Point:	313.4 °C at 760 mmHg
Density:	1.146 g/cm³
MDL:	MFCD00041034
LogP:	1.63070

Publication Number	Title	Priority Date
WO-2021188936-A1	Phd inhibitor compounds, compositions, and use	20200320
WO-2021188938-A1	Phd inhibitor compounds, compositions, and use	20200320
TW-201837031-A	Protein-targeting compound, composition, method and use thereof	20170314
US-10406165-B2	Compounds targeting proteins, compositions, methods, and uses thereof	20170314
US-2018264000-A1	Compounds targeting proteins, compositions, methods, and uses thereof	20170314

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.078644241
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	180.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9