AG003O31

94-02-0 | Ethyl 3-oxo-3-phenylpropanoate

AG003O31

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CAS Number	94-02-0
Catalog Number	AG003O31(AGN-PC-0W3LOQ)
Chemical Name	Ethyl 3-oxo-3-phenylpropanoate
EC Number	202-295-3
FEMA Number	2423
IUPAC Name	ethyl 3-oxo-3-phenylpropanoate
InChI	InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key	GKKZMYDNDDMXSE-UHFFFAOYSA-N
MDL Number	MFCD00009196
Molecular Formula	C11H12O3
Molecular Weight	192.2112
SMILES	O=C(OCC)CC(C1=CC=CC=C1)=O
UNII	K8CHJ4MKM0
Synonyms	ETHYL BENZOYLACETATE, Ethyl 3-oxo-3-phenylpropanoate, 94-02-0, Benzoylacetic acid ethyl ester, Ethyl benzoyl acetate, Acetic acid, benzoyl-, ethyl ester, Ethyl beta-oxobenzenepropanoate, ethylbenzoylacetate, Benzoylacetic acid, ethyl ester, Ethyl 3-phenyl-3-oxopropanoate, Benzenepropanoic acid, beta-oxo-, ethyl ester, Ethyl 3-oxo-3-phenylpropionate, UNII-K8CHJ4MKM0, 1-Ethoxy-3-phenylpropane-1,3-dione, Benzenepropanoic acid, .beta.-oxo-, ethyl ester, FEMA No. 2423, EINECS 202-295-3, K8CHJ4MKM0, NSC 227214, BRN 0389944, 3-oxo-3-phenyl-propionic acid ethyl ester, AI3-01353, ethyl 3-oxo-3-phenyl-propanoate, GKKZMYDNDDMXSE-UHFFFAOYSA-N, MFCD00009196, 3-oxo-3-phenylpropionic acid ethyl ester, AK-72988, Ethyl benzoylacetate, 90%, 3-OXO,3-PHENYL-PROPANOIC ACID,ETHYL ESTER, W-100219, PubChem20129, ACMC-209roq, Benzoacetate ethyl ester, Benzoylacetic acid ethyl, Ethyl benzoylacetate, 97%, DSSTox_CID_27094, DSSTox_RID_82106, DSSTox_GSID_47094, 4-10-00-02756 (Beilstein Handbook Reference), benzoyl-acetic acid-ethylester, KSC489S4L, ARONIS24213, SCHEMBL124577, AC1L1O61, AC1Q5F26, benzoyl acetic acid ethyl ester, ethyl 3-phenyl-3-oxopropionate, CHEMBL3182719, DTXSID4047094, CTK3I9945, FEMA 2423, Ethyl .beta.-oxobenzenepropanoate, NSC6774, Ethyl 3-oxo-3-phenylpropanoate #, HMS1789K04, ALBB-010188, BB_SC-00161, KS-000001GB, NSC-6774, STR00545, ZINC6205881, ZX-AN009035, ZX-AS004580, ZX-AT006938, Tox21_302326, ANW-40152, BBL027743, NSC227214, OR4787, SBB040799, STK499920, AKOS000119880, CS-W007617, MCULE-9444159278, MP-2168, NSC-227214, RP17472, RTC-062996, CAS-94-02-0, Ethyl benzoylacetate, analytical standard, NCGC00256276-01, AC-14224, AJ-55954, AN-24278, BC207455, BR-72988, CC-28109, CJ-12957, LS-11056, M408, SC-26008, SY003149, AX8129268, DB-010078, Ethyl benzoylacetate, technical grade, 90%, ST2412981, AM20041437, B0097, BB 0255087, FT-0625768, ST50214357, Ethyl benzoylacetate, technical, >=95% (HPLC), MFCD00009196 (95+%), C-28305, Ethyl benzoylacetate, Lonza quality, >=98% (GC), Ethyl benzoylacetate, redist., >=97.0% (HPLC), I01-0419, Ethyl benzoylacetate, Lonza quality, >=91.0% (GC), Z57055787, F0787-0004, InChI=1/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H, ethylbenzoyl acetate, Acetic acid, ethyl ester, C11H12O3, Ethyl benzoylacetate, 96% 50g, CID7170, Benzenepropanoic acid, ethyl ester, AR-1I8903, C11-H12-O3, beta-oxobenzenepropanoic acid ethyl ester, Ethyl benzoylacetate, 96% - 100G 100g, Ethyl Benzoyl Acetate 88% for synthesis (EBA) 100ml, 3-(3-methoxybenzyl)-7-phenylthieno[3,2-d]pyrimidin-4(3H)-one, 1522-33-4, 99646-13-6,

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	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P261-P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number