7-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one - CAS 1187195-69-2

Catalog:	BB004241
Product Name:	7-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one
CAS:	1187195-69-2
Synonyms:	7-methoxy-1,4-dihydro-3,1-benzoxazin-2-one; 7-methoxy-1,4-dihydro-3,1-benzoxazin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	7-methoxy-1,4-dihydro-3,1-benzoxazin-2-one
Description:	7-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS# 1187195-69-2 ) is a useful research chemical.
Molecular Weight:	179.17
Molecular Formula:	C9H9NO3
Canonical SMILES:	COC1=CC2=C(COC(=O)N2)C=C1
InChI:	InChI=1S/C9H9NO3/c1-12-7-3-2-6-5-13-9(11)10-8(6)4-7/h2-4H,5H2,1H3,(H,10,11)
InChI Key:	DXUULTFEKOJPBE-UHFFFAOYSA-N
LogP:	1.89530

Publication Number	Title	Priority Date
WO-2014117920-A1	Spiro-quinazolinone derivatives useful for the treatment of neurological diseases and conditions	20130204

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Related Functional Groups

Benzoxazines

[1365965-22-5]
2,2-Dimethyl-5-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
[1780189-83-4]
5-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one
[1514263-64-9]
8-Chloro-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[627870-58-0]
6-Ethynyl-2H-benzo[b][1,4]oxazin-3(4H)-one
[82419-29-2]
7,8-Difluoro-3,4-dihydro-2H-1,4-benzoxazine
[928256-37-5]
6-Methoxy-2,2-dimethyl-2H-benzo[b][1,4]oxazin-3(4H)-one

Complexity:	207
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.058243149
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.058243149
Rotatable Bond Count:	1
Topological Polar Surface Area:	47.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1