2,6-Dimethylbenzoic Anhydride - CAS 73368-14-6

Catalog:	BB034832
Product Name:	2,6-Dimethylbenzoic Anhydride
CAS:	73368-14-6
Synonyms:	2,6-dimethylbenzoic acid [(2,6-dimethylphenyl)-oxomethyl] ester; (2,6-dimethylbenzoyl) 2,6-dimethylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	(2,6-dimethylbenzoyl) 2,6-dimethylbenzoate
Description:	2,6-Dimethylbenzoic Anhydride (CAS# 73368-14-6 ) is a useful research chemical.
Molecular Weight:	282.33
Molecular Formula:	C18H18O3
Canonical SMILES:	CC1=C(C(=CC=C1)C)C(=O)OC(=O)C2=C(C=CC=C2C)C
InChI:	InChI=1S/C18H18O3/c1-11-7-5-8-12(2)15(11)17(19)21-18(20)16-13(3)9-6-10-14(16)4/h5-10H,1-4H3
InChI Key:	XFMPEIBTNAPWGX-UHFFFAOYSA-N
LogP:	3.91740

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
ES-2564946-T3	White inkjet printing	20130624
US-2014030221-A1	Macrocyclic inhibitors of flaviviridae viruses	20120608
US-2015344521-A1	Macrocyclic inhibitors of flaviviridae viruses	20120608
US-2015361132-A1	Macrocyclic inhibitors of flaviviridae viruses	20120608

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Complexity:	334
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