Ethyl benzoylacetate, Ethyl benzoylacetate buy, Excellent quality and factory price Ethyl benzoylacetate, Ethyl benzoylacetate CAS: 94-02-0 supplier CAS NO.94-02-0

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1. Introduction of Ethyl benzoylacetate

The Ethyl benzoylacetate, with its CAS NO 94-02-0, is a kind of Brownish liquid. It has synonyms of Aceticacid, benzoyl-, ethyl ester (6CI,7CI,8CI);1-Ethoxy-3-phenylpropane-1,3-dione;3-Oxo-3-phenylpropanoic acid ethyl ester;3-Oxo-3-phenylpropionic acid ethylester;3-Phenyl-3-oxopropanoic acid ethyl ester;Benzoylacetic acid ethylester Ethyl 2-benzoylacetate. Ethyl benzoylacetate should be stored in shady cool warehouse.

2. Properties of Ethyl benzoylacetate

(1) XLogP3 1.9  (2) H-Bond Accept3  (3) Rotatable Bond Count 5
(4) Tautomer Count 3 (5) Exact Mass 192.078644  (6) MonoIsotopic Mass 192.078644
(7) Topological Polar Surface Area 43.4  (8) Heavy Atom Count 14
(9) Complexity 205  (10) Covalently-Bonded Unit Count 1
(11) Feature 3D AcceptCount 2  (12) Feature 3D Anion Count 1
(13) Feature 3D Ring Count 1  (14) Effective RotCount 5
(15) Conformer Sampling RMSD 0.6  (16) CID Conformer Count 170
 

3. Structure descriptors of Ethyl benzoylacetate

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

InChIKey: GKKZMYDNDDMXSE-UHFFFAOYSA-N

Canonical SMILES : CCOC(=O)CC(=O)C1=CC=CC=C1