AG003O3W

5396-89-4 | Benzyl 3-oxobutanoate

AG003O3W

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CAS Number	5396-89-4
Catalog Number	AG003O3W(AGN-PC-0JMSIK)
Chemical Name	Benzyl 3-oxobutanoate
EC Number	226-416-4
FEMA Number	2136
IUPAC Name	benzyl 3-oxobutanoate
InChI	InChI=1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key	WOFAGNLBCJWEOE-UHFFFAOYSA-N
MDL Number	MFCD00008785
Molecular Formula	C11H12O3
Molecular Weight	192.2112
NSC Number	4391
SMILES	CC(=O)CC(=O)OCC1=CC=CC=C1
UNII	F9S0XGV18X
Synonyms	Benzyl 3-oxobutanoate, Benzyl acetoacetate, 5396-89-4, Acetoacetic acid benzyl ester, Benzyl acetylacetate, Acetoacetic acid, benzyl ester, Phenylmethyl 3-oxobutanoate, Butanoic acid, 3-oxo-, phenylmethyl ester, Benzyl beta-ketobutyrate, AC-benzyl, UNII-F9S0XGV18X, NSC 4391, F9S0XGV18X, WOFAGNLBCJWEOE-UHFFFAOYSA-N, MFCD00008785, Acetoacetic acid, benzyl ester (8CI), BENZYLACETOACETATE, FEMA No. 2136, benzyl3-oxobutanoate, EINECS 226-416-4, ACMC-209lbh, AI3-06229, AC1L3KRE, Benzyl acetoacetate, 97%, SCHEMBL26569, AC1Q1K41, DTXSID8063834, FEMA 2136, KS-00000UCM, WOFAGNLBCJWEOE-UHFFFAOYSA-, 3-oxo-butanoicaciphenylmethylester, NSC4391, BCP23315, NSC-4391, ZINC1673347, 7726AB, ANW-31899, BBL027729, CB0173, SBB058876, STL373489, AKOS000119530, MCULE-6366986775, VZ31184, AJ-29318, AS-47647, CJ-27256, DB-002129, RT-004140, AM20040668, FT-0621772, ST24046103, ST50405875, Benzyl acetoacetate, Lonza quality, >=96.0% (GC), I01-1264, Q-103471, F0001-1407, Benzyl acetoacetate, produced by Wacker Chemie AG, Burghausen, Germany, >=96% (GC), InChI=1/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3, Butanoic acid, phenylmethyl ester, C11H12O3, CID142266, C11-H12-O3, A1080, 38432-58-5,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.214g/mol
Monoisotopic Mass	192.079g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H412
Precuationary statements	P273-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number