o-Anisic acid - CAS 579-75-9

Catalog:	BB029888
Product Name:	o-Anisic acid
CAS:	579-75-9
Synonyms:	Benzoic acid, 2-methoxy-; NSC 3778; o-Methoxybenzoic acid; O-Methylsalicylic acid; Salicylic acid methyl ether

Technical Data

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Literatures

Computed Properties

IUPAC Name:	2-methoxybenzoic acid
Molecular Weight:	152.15
Molecular Formula:	C8H8O3
Canonical SMILES:	COC1=CC=CC=C1C(=O)O
InChI:	InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key:	ILUJQPXNXACGAN-UHFFFAOYSA-N
Boiling Point:	279.9±13.0°C at 760 mmHg
Melting Point:	101°C
Purity:	95%
Density:	1.207±0.06 g/cm3
Solubility:	Soluble in Chloroform (Sparingly), Methanol (Sparingly)
Appearance:	White to Off-white Crystalline Powder
Storage:	Store at 2-8°C
MDL:	MFCD00002431
LogP:	1.39340

Publication Number	Title	Priority Date
CN-113318205-A	Traditional Chinese medicine composition for treating pleural effusion and pericardial effusion	20210615
CN-113200938-A	Benzisothiazole hypoxia inducible factor 2 agonist compound or pharmaceutically acceptable salt thereof, preparation method and application	20210520
CN-113004241-A	11, 20-dicarbonyl economic oridonin 14-O-benzoic acid esterified derivative and preparation method and application thereof	20210305
CN-112979571-A	AKR1C3 selective inhibitor, preparation method and application thereof	20210224
CN-112939778-A	Coumarin compound ester derivatives, preparation method and application thereof	20210201

PMID	Publication Date	Title	Journal
22922924	20120824	Salicylate toxicity from ingestion of traditional massage oil	BMJ case reports
22676798	20120725	Classification and characterization of manuka honeys based on phenolic compounds and methylglyoxal	Journal of agricultural and food chemistry
22484903	20120701	Preconcentration of trace lead and iron on activated carbon functionalized by o-Anisic acid derivatives prior to their determination in environmental samples	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22589815	20120401	(2,9-Dimethyl-1,10-phenanthroline-κ(2)N,N')bis-(2-meth-oxy-benzoato-κ(2)O(1),O(1'))cadmium	Acta crystallographica. Section E, Structure reports online
22401291	20120308	Comparative genomics and transcriptional profiles of Saccharopolyspora erythraea NRRL 2338 and a classically improved erythromycin over-producing strain	Microbial cell factories

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.047344113
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6