AG003R5Z

6439-57-2 | 4-Butoxy-2-methylene-4-oxobutanoic acid

AG003R5Z

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CAS Number	6439-57-2
Catalog Number	AG003R5Z(AGN-PC-0WCZJ3)
Chemical Name	4-Butoxy-2-methylene-4-oxobutanoic acid
IUPAC Name	4-butoxy-2-methylidene-4-oxobutanoic acid
InChI	InChI=1S/C9H14O4/c1-3-4-5-13-8(10)6-7(2)9(11)12/h2-6H2,1H3,(H,11,12)
InChI Key	VVAAYFMMXYRORI-UHFFFAOYSA-N
MDL Number	MFCD00046533
Molecular Formula	C9H14O4
Molecular Weight	186.2051
SMILES	O=C(C(CC(OCCCC)=O)=C)O
Synonyms	4-butoxy-2-methylene-4-oxobutanoic acid, 6439-57-2, Mono-butyl itaconate, 4-Butyl Methylenesuccinate, Butanedioic acid, methylene-, monobutyl ester, Butanedioic acid, 2-methylene-, monobutyl ester, 27216-48-4, Mono-n-butyl itaconate, MonobutylItaconate, beta-Butyl Itaconate, Mono-n-butylitaconate, beta-Monobutyl itaconate, AC1L3LWH, AC1Q5QEX, Itaconic Acid Monobutyl Ester, SCHEMBL329098, VVAAYFMMXYRORI-UHFFFAOYSA-N, ZINC2508027, MFCD00046533, 2-(2-Butoxy-2-oxoethyl)acrylic acid, KS-0000122N, 2-(2-Butoxy-2-oxoethyl)acrylic acid #, 4-butoxy-2-methylidene-4-oxobutanoic acid, FT-0636150, I0267, Monobutyl Itaconate, Itaconic acid mono-n-butyl ester, 3-(butoxycarbonyl)but-3-enoic acid, AR-1G1355, C9-H14-O4, CID117952, 6626-83-1,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.089g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.207g/mol
Monoisotopic Mass	186.089g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number