Methyl (E)-3-Morpholinoacrylate - CAS 101471-73-2

Catalog:	BB000515
Product Name:	Methyl (E)-3-Morpholinoacrylate
CAS:	101471-73-2
Synonyms:	(E)-3-(4-morpholinyl)-2-propenoic acid methyl ester; methyl (E)-3-morpholin-4-ylprop-2-enoate

Technical Data

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Computed Properties

IUPAC Name:	methyl (E)-3-morpholin-4-ylprop-2-enoate
Description:	Methyl (E)-3-Morpholinoacrylate (CAS# 101471-73-2) is a useful research chemical.
Molecular Weight:	171.19
Molecular Formula:	C8H13NO3
Canonical SMILES:	COC(=O)C=CN1CCOCC1
InChI:	InChI=1S/C8H13NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-3H,4-7H2,1H3/b3-2+
InChI Key:	XFGDIQBAFODGRV-NSCUHMNNSA-N
Boiling Point:	263.4 ℃ at 760 mmHg
Density:	1.185 g/cm³
LogP:	-0.05680

Publication Number	Title	Priority Date
WO-2021004535-A1	Cinnolines as inhibitors of hpk 1	20190711
US-2011046371-A1	Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters	20080502
US-2013041147-A1	Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters	20080502
US-8314233-B2	Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters	20080502
US-8592578-B2	Process for preparing 2-(aminomethylidene)-4,4-difluoro-3-oxobutyric esters	20080502

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Complexity:	173
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	171.08954328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.08954328
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1