AG003NNT

4188-88-9 | Acetylacrylic acid methyl ester

AG003NNT

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CAS Number	4188-88-9
Catalog Number	AG003NNT(AGN-PC-0WG3JV)
Chemical Name	Acetylacrylic acid methyl ester
IUPAC Name	methyl (E)-4-oxopent-2-enoate
InChI	InChI=1S/C6H8O3/c1-5(7)3-4-6(8)9-2/h3-4H,1-2H3/b4-3+
InChI Key	GLVNZYODMKSEPS-ONEGZZNKSA-N
MDL Number	MFCD00059331
Molecular Formula	C6H8O3
Molecular Weight	128.1259
SMILES	O=C(OC)C=CC(C)=O
Synonyms	Acetylacrylic Acid Methyl Ester, 2833-24-1, Methyl trans-4-oxo-2-pentenoate, (E)-methyl 4-oxopent-2-enoate, methyl (E)-4-oxopent-2-enoate, GLVNZYODMKSEPS-ONEGZZNKSA-N, methyl 4-oxopent-2-enoate, 2-Pentenoic acid, 4-oxo-, methyl ester, (Z)-, methyl (2E)-4-oxopent-2-enoate, AC1NSI9Q, Methyl 4-oxo-2-pentenoate, Methyl trans-|A-acetylacrylate, SCHEMBL1413207, SCHEMBL1413208, GLVNZYODMKSEPS-ONEGZZNKSA-, Methyl (E)-4-oxo-2-pentenoate, Methyl (2Z)-4-oxo-2-pentenoate, ZINC2522780, MFCD00059331, AKOS015894026, NE30450, A0071, M-4460, I04-8457, Methyl trans-4-oxo-2-pentenoate, >=97.0% (GC), InChI=1/C6H8O3/c1-5(7)3-4-6(8)9-2/h3-4H,1-2H3/b4-3+, Methyl Acetylacrylate, CID5363720, 4188-88-9, 2-Pentenoic acid, 4-oxo-, methyl ester, (E)-, 2-Pentenoic acid, 4-oxo-, methyl ester, (2E)-,

Complexity	146
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	128.047g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.127g/mol
Monoisotopic Mass	128.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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