3,4-Dimethoxy-2-methylbenzoic Acid - CAS 5722-94-1

Catalog:	BB029613
Product Name:	3,4-Dimethoxy-2-methylbenzoic Acid
CAS:	5722-94-1
Synonyms:	3,4-dimethoxy-2-methylbenzoic acid; 3,4-dimethoxy-2-methylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3,4-dimethoxy-2-methylbenzoic acid
Description:	3,4-Dimethoxy-2-methylbenzoic Acid (CAS# 5722-94-1) is a useful synthetic intermediate. It is used to synthesize 5,5'-didesisopropyl-5,5'-dialkylapogossypol derivatives.
Molecular Weight:	196.20
Molecular Formula:	C10H12O4
Canonical SMILES:	CC1=C(C=CC(=C1OC)OC)C(=O)O
InChI:	InChI=1S/C10H12O4/c1-6-7(10(11)12)4-5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H,11,12)
InChI Key:	OUEJXYZKZCQELU-UHFFFAOYSA-N
MDL:	MFCD09701444
LogP:	1.71040

Publication Number	Title	Priority Date
AU-2021203261-B1	Novel dioxoloisoquinolinone derivatives and use thereof	20200813
KR-20200101219-A	Novel heterotricyclic derivatives and use thereof	20190219
TW-202045512-A	Novel heterotricyclic derivatives and use thereof	20190219
WO-2020171606-A1	Novel heterotricyclic derivative compound and use of same	20190219
CN-113423710-A	Novel heterocyclic tricyclic derivative compound and use thereof	20190219

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Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.07355886
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.07355886
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8