AG003JDV

42588-57-8 | 3-Ethoxymethacrolein

AG003JDV

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CAS Number	42588-57-8
Catalog Number	AG003JDV(AGN-PC-0WAJ68)
Chemical Name	3-Ethoxymethacrolein
EC Number	255-899-4
IUPAC Name	(E)-3-ethoxy-2-methylprop-2-enal
InChI	InChI=1S/C6H10O2/c1-3-8-5-6(2)4-7/h4-5H,3H2,1-2H3/b6-5+
InChI Key	KDOAHVPFGIYCEU-AATRIKPKSA-N
MDL Number	MFCD00006975
Molecular Formula	C6H10O2
Molecular Weight	114.1424
SMILES	O=C/C(C)=C/OCC
Synonyms	3-Ethoxymethacrolein, 42588-57-8, KDOAHVPFGIYCEU-AATRIKPKSA-N, J-640340, 3-ethoxy-2-methyl-2-propenal, EINECS 255-899-4, 3-ethoxy-methacrolein, AC1MJ3EA, 3-Ethoxy-2-methylpropenal, 3-Ethoxy-2-methylacroleine, AC1Q31NL, 3-Ethoxymethacrolein, 96%, (E)-2-Methyl-3-ethoxypropenal, 2-Propenal, 3-ethoxy-2-methyl-, ZINC2567936, (E)-3-ethoxy-2-methylprop-2-enal, MFCD00006975, (2E)-3-ethoxy-2-methylprop-2-enal, AKOS015916269, (2E)-3-Ethoxy-2-methyl-2-propenal #, AS-47052, 3-ETHOXY-2-METHYL-2-PROPEN-1-AL, J-800343, I14-49885, 3-Ethoxy-2-methylacrylaldehyde, Boc-L-beta-homophenylalanine, C6-H10-O2, ZINC02567936, CID3084868, 62055-46-3,

Complexity	94.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	114.068g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	114.144g/mol
Monoisotopic Mass	114.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302+H312+H332
Packing Group	Ⅲ
Precautionary statements	P280
UN Code	UN 3271

Certificate of Analysis

Lot Number