2,2,6-Trimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 29936-64-9

Catalog:	BB020385
Product Name:	2,2,6-Trimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	29936-64-9
Synonyms:	2,2,6-trimethyl-4H-1,4-benzoxazin-3-one; 2,2,6-trimethyl-4H-1,4-benzoxazin-3-one

Technical Data

Patents

Computed Properties

IUPAC Name:	2,2,6-trimethyl-4H-1,4-benzoxazin-3-one
Description:	2,2,6-Trimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 29936-64-9) is a useful research chemical.
Molecular Weight:	191.23
Molecular Formula:	C11H13NO2
Canonical SMILES:	CC1=CC2=C(C=C1)OC(C(=O)N2)(C)C
InChI:	InChI=1S/C11H13NO2/c1-7-4-5-9-8(6-7)12-10(13)11(2,3)14-9/h4-6H,1-3H3,(H,12,13)
InChI Key:	ZFVLXVXZFNWHAK-UHFFFAOYSA-N
LogP:	2.24250

Publication Number	Title	Priority Date
US-2015031685-A1	Substituted heterocyclic acetamides as kappa opioid receptor (kor) agonists	20120305
EP-2582667-A1	Heterocyclic substituted methoxyphenyl derivatives having an oxo group, method for producing same, and use thereof as gpr40 receptor modulators	20100621
EP-2582667-B1	Heterocyclic substituted methoxyphenyl derivatives with oxogroup, method for producing same and use as gpr40 receptor modulators	20100621
US-2012004165-A1	Heterocyclically substituted methoxyphenyl derivatives with an oxo group, processes for preparation thereof and use thereof as medicaments	20100621
US-8530413-B2	Heterocyclically substituted methoxyphenyl derivatives with an oxo group, processes for preparation thereof and use thereof as medicaments	20100621

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Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.094628657
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.094628657
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8