Methyl 3-methoxy-4-methylbenzoate - CAS 3556-83-0

Catalog:	BB022676
Product Name:	Methyl 3-methoxy-4-methylbenzoate
CAS:	3556-83-0
Synonyms:	methyl 3-methoxy-4-methylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-methoxy-4-methylbenzoate
Description:	Methyl 3-Methoxy-4-methylbenzoate has been used as a reactant in the preparation of an antimalaria drug that consists of the 4-aminoquinoline pharmacophore of chloroquine with clotrimazole-based antimalarials.
Molecular Weight:	180.20
Molecular Formula:	C10H12O3
Canonical SMILES:	CC1=C(C=C(C=C1)C(=O)OC)OC
InChI:	InChI=1S/C10H12O3/c1-7-4-5-8(10(11)13-3)6-9(7)12-2/h4-6H,1-3H3
InChI Key:	LLEXCSBUSVRBCA-UHFFFAOYSA-N
Boiling Point:	119 ℃ (1 torr)
Density:	1.075 g/cm³
MDL:	MFCD00082710
LogP:	1.79020

Publication Number	Title	Priority Date
WO-2021151014-A1	Pgdh inhibitors and methods of making and using	20200123
US-2021063874-A1	Salt, quencher, resist composition and method for producing resist pattern	20190829
US-2020385343-A1	Salt, quencher, resist composition and method for producing resist pattern, and method for producing salt	20190604
US-2020387069-A1	Salt, quencher, resist composition and method for producing resist pattern	20190604
KR-20200059166-A	Salt, quencher, resist composition, and method for producing resist pattern	20181120

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6