AG0028OY

203186-56-5 | Methyl 2-acetyl-3-(dimethylamino)acrylate

AG0028OY

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CAS Number	203186-56-5
Catalog Number	AG0028OY(AGN-PC-0O79P5)
Chemical Name	Methyl 2-acetyl-3-(dimethylamino)acrylate
IUPAC Name	methyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanoate
InChI	InChI=1S/C8H13NO3/c1-6(10)7(5-9(2)3)8(11)12-4/h5H,1-4H3/b7-5+
InChI Key	RPFZLULJSPXVDO-FNORWQNLSA-N
MDL Number	MFCD08689663
Molecular Formula	C8H13NO3
Molecular Weight	171.1937
SMILES	CC(/C(C(OC)=O)=CN(C)C)=O
Synonyms	203186-56-5, Methyl 2-acetyl-3-(dimethylamino)acrylate, (E)-Methyl 2-((dimethylamino)methylene)-3-oxobutanoate, Methyl 2-((dimethylamino)methylene)-3-oxobutanoate, SCHEMBL15075199, methyl (2E)-2-[(dimethylamino)methylidene]-3-oxobutanoate, 6854AD, SBB088503, ZINC12336337, AKOS005070280, Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, methyl ester, (E)-, RTR-063254, TR-063254, EN300-127258, K-5934, 3R-1153, J-521793, methyl (2E)-2-acetyl-3-(dimethylamino)prop-2-enoate, 2-(Dimethylaminomethylene)acetoacetic acid methyl ester, Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, methyl ester, (2E)-, methylacetyldimethylaminoacrylate, C8H13NO3, RP10516, AJ-60790, methyl 2-[(dimethylamino)methylidene]-3-oxobutanoate, N/A,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	171.089543g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.19g/mol
Monoisotopic Mass	171.089543g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.6Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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