AG003QEQ

603-69-0 | Ethyl diacetoacetate

AG003QEQ

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CAS Number	603-69-0
Catalog Number	AG003QEQ(AGN-PC-0JLRRN)
Chemical Name	Ethyl diacetoacetate
EC Number	210-053-3
IUPAC Name	ethyl 2-acetyl-3-oxobutanoate
InChI	InChI=1S/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3
InChI Key	YMCDYRGMTRCAPZ-UHFFFAOYSA-N
MDL Number	MFCD00009864
Molecular Formula	C8H12O4
Molecular Weight	172.1785
NSC Number	345
SMILES	CC(C(C(C)=O)C(OCC)=O)=O
Synonyms	Ethyl diacetoacetate, 603-69-0, Ethyl 2-acetyl-3-oxobutanoate, Ethyl 2-acetylacetoacetate, Ethyl diacetylacetate, 3-Ethoxycarbonylacetylacetone, Butanoic acid, 2-acetyl-3-oxo-, ethyl ester, Ethyl diacetyl acetate, YMCDYRGMTRCAPZ-UHFFFAOYSA-N, MFCD00009864, Ethyl diaceto acetate, 2-acetyl-3-oxo-butyric acid ethyl ester, Butanoic acid,2-acetyl-3-oxo-, ethyl ester, Ethyldiacetoacetate, EINECS 210-053-3, ethyl diacetyl-acetate, PubChem14160, Acetoacetic acid, 2-acetyl-, ethyl ester, AC1L2WKP, AC1Q5C9L, ethyl 2-acetyl-acetoacetate, Ethyl diacetoacetate, 97%, Diacetylessigsaure-athylester, SCHEMBL123766, Diacetoacetic Acid Ethyl Ester, Ethyl 2-Acetyl-3-oxobutyrate, ethyl 2-acetyl-3-oxo-butyrate, NSC345, ethyl 2-acetyl-3-oxo-butanoate, CTK5B1396, DTXSID80209059, NSC-345, 2-Acetyl-3-oxobutyric acid ethyl, Ethyl 2-acetyl-3-oxobutanoate #, ALBB-017961, STR02893, BBL015917, KM0400, STL170045, AKOS004115440, ZINC100006655, CS-W001121, LS40928, MCULE-7185863259, RP23443, 2-acetyl-3-oxobutyric acid ethyl ester, KS-000010V2, AN-46337, N140, SC-65084, AB0015573, D2170, FT-0610967, I14-2230, W-105256, F0001-1581, Ethyl 2-acetylacetoacetate; 3-Ethoxycarbonylacetylacetone;ethyl 2-acetyl-3-oxobutanoate, Butanoic acid, ethyl ester, acetoacetic acid, ethyl ester, C8H12O4, CID79063, AR-1I9705, C8-H12-O4, A8423, 6211-16-1,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.18g/mol
Monoisotopic Mass	172.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	60.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H315-H319-H335
Packing Group
Precautionary statements	P210-P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501
UN Code

Certificate of Analysis

Lot Number