2-Hydroxy-5-methoxybenzoic acid - CAS 2612-02-4

Catalog:	BB019138
Product Name:	2-Hydroxy-5-methoxybenzoic acid
CAS:	2612-02-4
Synonyms:	2-hydroxy-5-methoxybenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	2-hydroxy-5-methoxybenzoic acid
Description:	2-Hydroxy-5-methoxybenzoic acid (CAS# 2612-02-4) is a useful research chemical.
Molecular Weight:	168.15
Molecular Formula:	C8H8O4
Canonical SMILES:	COC1=CC(=C(C=C1)O)C(=O)O
InChI:	InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)
InChI Key:	IZZIWIAOVZOBLF-UHFFFAOYSA-N
Boiling Point:	347 °C at 760 mmHg
Melting Point:	142-146 °C
Purity:	98 %
Solubility:	9 mg/mL
Appearance:	Beige fine crystalline powder
MDL:	MFCD00002459
LogP:	1.09900

Publication Number	Title	Priority Date
KR-102242940-B1	Method for preparing a non-reducing cleaning composition containing vegetable extracts and a non-reducing cleaning composition prepared thereby	20210119
CN-112876869-A	High-weather-resistance modified asphalt mixture and preparation method thereof	20210118
CN-112557545-A	Marker screening and identification of non-concentrated reduced apple juice based on non-targeted metabonomics and application thereof	20201216
CN-112088902-A	Preparation method of plant inducer	20200717
CN-112088902-B	Preparation method of plant inducer	20200717

PMID	Publication Date	Title	Journal
22272582	20120223	Quantitative correlation of counterion (X) affinity to ionic micelles and X- and temperature-induced micellar growth (spherical-wormlike micelles-vesicles) for X = 5-methyl- and 5-methoxysalicylate ions	The journal of physical chemistry. B
22108793	20111122	Structural and functional protein network analyses predict novel signaling functions for rhodopsin	Molecular systems biology
21840249	20111101	DFT, FT-Raman and FT-IR investigations of 5-methoxysalicylic acid	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21898791	20111101	In vitro anti-platelet effects of simple plant-derived phenolic compounds are only found at high, non-physiological concentrations	Molecular nutrition & food research
22058870	20110901	Diaqua-bis-(2-hy-droxy-5-meth-oxy-benzoato-κO)zinc	Acta crystallographica. Section E, Structure reports online

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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:	168
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.04225873
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	168.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5