AG003Q3I

620-79-1 | Ethyl 2-benzyl-3-oxobutanoate

AG003Q3I

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CAS Number	620-79-1
Catalog Number	AG003Q3I(AGN-PC-0T2VTD)
Chemical Name	Ethyl 2-benzyl-3-oxobutanoate
EC Number	210-651-4
FEMA Number	2416
IUPAC Name	ethyl 2-benzyl-3-oxobutanoate
InChI	InChI=1S/C13H16O3/c1-3-16-13(15)12(10(2)14)9-11-7-5-4-6-8-11/h4-8,12H,3,9H2,1-2H3
InChI Key	XDWQYMXQMNUWID-UHFFFAOYSA-N
MDL Number	MFCD08436113
Molecular Formula	C13H16O3
Molecular Weight	220.2643
NSC Number	60581
SMILES	O=C(C)C(CC1=CC=CC=C1)C(OCC)=O
Synonyms	Ethyl 2-benzylacetoacetate, Ethyl 2-benzyl-3-oxobutanoate, 620-79-1, Ethyl 2-acetyl-3-phenylpropionate, 2-Benzylacetoacetic Acid Ethyl Ester, Ethyl benzyl acetoacetate, Ethyl alpha-benzylacetoacetate, Ethyl .alpha.-benzylacetoacetate, 2-Benzylacetoacetate, Ethyl 3-oxo-2-benzylbutanoate, Ethyl alpha-acetylhydrocinnamate, Ethyl benzylacetoacetate, 2-Acetyl-3-phenylpropionic Acid Ethyl Ester, Ethyl-2-benzylacetoacetate, Hydrocinnamic acid, alpha-acetyl-, ethyl ester, Ethyl .alpha.-acetylhydrocinnamate, XDWQYMXQMNUWID-UHFFFAOYSA-N, Benzenepropanoic acid, alpha-acetyl-, ethyl ester, MFCD00009156, Ethyl 2-acetyldihydrocinnamate, FEMA No. 2416, ETHYL2-BENZYLACETOACETATE, spicy acetoacetate, Ethyl alpha-acetylbenzenepropanoate, EINECS 210-651-4, AI3-07790, Ethyl-a-benzylacetoacetate, AC1Q5C1N, ethyl 2-benzylaceto-acetate, ACMC-1AY90, Hydrocinnamic acid, .alpha.-acetyl-, ethyl ester, SCHEMBL856250, Benzenepropanoic acid, .alpha.-acetyl-, ethyl ester, AC1L6J65, AC1Q323D, ethyl 2-benzyl-3-oxo-butyrate, CTK3J4135, FEMA 2416, ethyl 2-acetyl-3-phenylpropanoate, Ethyl 2-benzylacetoacetate, 97%, BB_SC-07022, KS-000014ZE, NSC60581, STR02085, ZX-AT021364, ANW-34055, BBL011458, NSC-60581, STL146570, AKOS002673967, AKOS016046065, MCULE-2879014832, OR28017, RTX-013396, 2-Benzyl-3-oxo-butyric acid ethyl ester, CC-27765, SC-43743, DB-054053, Ethyl 2-acetyl-3-phenylpropionate, >=97%, TL8004026, B2008, FT-0611307, ST50308291, C-28289, F0001-1654, UNII-7K3AI5O6H2, 7K3AI5O6H2, Hydrocinnamic acid, ethyl ester, Benzenepropanoic acid, ethyl ester, AR-1I9642, CID246929, C13-H16-O3, Benzenepropanoic acid, ?-acetyl-, ethyl ester, 6691-44-7,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.11g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.268g/mol
Monoisotopic Mass	220.11g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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