2,4-Dimethylbenzoic Anhydride - CAS 66553-30-8

Catalog:	BB033059
Product Name:	2,4-Dimethylbenzoic Anhydride
CAS:	66553-30-8
Synonyms:	2,4-dimethylbenzoic acid [(2,4-dimethylphenyl)-oxomethyl] ester; (2,4-dimethylbenzoyl) 2,4-dimethylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	(2,4-dimethylbenzoyl) 2,4-dimethylbenzoate
Description:	2,4-Dimethylbenzoic Anhydride (CAS# 66553-30-8 ) is a useful research chemical.
Molecular Weight:	282.33
Molecular Formula:	C18H18O3
Canonical SMILES:	CC1=CC(=C(C=C1)C(=O)OC(=O)C2=C(C=C(C=C2)C)C)C
InChI:	InChI=1S/C18H18O3/c1-11-5-7-15(13(3)9-11)17(19)21-18(20)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3
InChI Key:	IBTNAKFCXDQGMP-UHFFFAOYSA-N

Publication Number	Title	Priority Date
JP-2017050220-A	Overcharge inhibitor for non-aqueous secondary battery, electrolyte containing the same, and non-aqueous secondary battery	20150903
EP-2463281-A1	Method for producing cyclic sulfonic acid ester and intermediate thereof	20090804
EP-2463281-B1	Method for producing cyclic sulfonic acid ester and intermediate thereof	20090804
EP-2757102-A1	1,3-propanesultone derivative useful in the preparation of a 1,3-propenesultone derivative	20090804
EP-2757102-B1	Intermediate for producing a cyclic sulfonic acid ester	20090804

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Complexity:	354
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	282.125594432
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	282.125594432
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7