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Methyl 3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate

Methyl 3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate - CAS 82756-71-6

Catalog:	BB036898
Product Name:	Methyl 3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate
CAS:	82756-71-6
Synonyms:	3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid methyl ester;hydrochloride; methyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	methyl 3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Description:	Methyl 3,4-Dihydro-2H-benzo[b][1,4]oxazine-2-carboxylate (CAS# 82756-71-6 ) is a useful research chemical.
Molecular Weight:	193.20
Molecular Formula:	C10H11NO3
Canonical SMILES:	COC(=O)C1CNC2=CC=CC=C2O1.Cl
InChI:	InChI=1S/C10H11NO3.ClH/c1-13-10(12)9-6-11-7-4-2-3-5-8(7)14-9;/h2-5,9,11H,6H2,1H3;1H
InChI Key:	XIRKMYLCSJDQQE-UHFFFAOYSA-N
LogP:	1.17050

Publication Number	Title	Priority Date
CN-104220422-A	Ep1 receptor ligands	20110916
US-2012088790-A1	Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy	20100813
US-2015158842-A1	Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy	20100813
US-9045459-B2	Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy	20100813
EP-2438037-A1	Glycine b antagonists	20090604

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Complexity:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.07389321
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.07389321
Rotatable Bond Count:	2
Topological Polar Surface Area:	47.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6