Methyl 3-hydroxy-4-methoxybenzoate - CAS 6702-50-7

Catalog:	BB033165
Product Name:	Methyl 3-hydroxy-4-methoxybenzoate
CAS:	6702-50-7
Synonyms:	methyl 3-hydroxy-4-methoxybenzoate

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Computed Properties

IUPAC Name:	methyl 3-hydroxy-4-methoxybenzoate
Description:	Methyl 3-hydroxy-4-methoxybenzoate (CAS# 6702-50-7) is a useful research chemical.
Molecular Weight:	182.17
Molecular Formula:	C9H10O4
Canonical SMILES:	COC1=C(C=C(C=C1)C(=O)OC)O
InChI:	InChI=1S/C9H10O4/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5,10H,1-2H3
InChI Key:	QXOXUEFXRSIYSW-UHFFFAOYSA-N
Boiling Point:	327.7 °C at 760 mmHg
Melting Point:	64-67 °C
Purity:	95 %
Density:	1.216 g/cm³
Appearance:	White to off-white solid
MDL:	MFCD01321262
LogP:	1.18740

Publication Number	Title	Priority Date
CN-113264889-A	Method suitable for industrial production and preparation of gefitinib	20210611
CN-111620764-A	Selective ether bond breaking method of aryl alkyl ether	20200324
WO-2021066922-A1	Antiviral heterocyclic compounds	20191004
WO-2020176652-A1	Quinazolinone compounds	20190227
WO-2020100959-A1	1,3,4-oxadiazolone compound and medicine	20181115

PMID	Publication Date	Title	Journal
17851420	20070328	Synthesis of gefitinib from methyl 3-hydroxy-4-methoxy-benzoate	Molecules (Basel, Switzerland)
17969264	20070101	Withdrawn paper: Li, M.D.; Zheng, Y.G.; Ji, M. Synthesis of gefitinib from methyl 3-hydroxy-4-methoxybenzoate. Molecules 2007,12,673-678	Molecules (Basel, Switzerland)
15595414	20041101	Protective constituents against sepsis in mice from the root cortex of Paeonia suffruticosa	Archives of pharmacal research
14611153	20031119	Tyrosinase inhibitor from black rice bran	Journal of agricultural and food chemistry

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Related Functional Groups

Carbonyl Compounds

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[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

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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:	181
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:	3
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8