AG00389A

103935-10-0 | Ethyl 2-Ethanoylbenzoate

AG00389A

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CAS Number	103935-10-0
Catalog Number	AG00389A(AGN-PC-0KLAHC)
Chemical Name	Ethyl 2-Ethanoylbenzoate
IUPAC Name	ethyl 2-acetylbenzoate
InChI	InChI=1S/C11H12O3/c1-3-14-11(13)10-7-5-4-6-9(10)8(2)12/h4-7H,3H2,1-2H3
InChI Key	YCJSSCAQCRQQJT-UHFFFAOYSA-N
MDL Number	MFCD00173696
Molecular Formula	C11H12O3
Molecular Weight	192.2112
SMILES	C(C)(=O)C1=C(C(=O)OCC)C=CC=C1
Synonyms	ethyl 2-acetylbenzoate, 103935-10-0, Ethyl 2-acetylbenzenecarboxylate, Benzoic acid,2-acetyl-, ethyl ester, Benzoic acid, 2-acetyl-, ethyl ester, ACMC-20m6qa, Ethyl 2-Ethanoylbenzoate, AC1ME2RV, ethylacetylbenzenecarboxylate, SCHEMBL3945626, CTK4A2515, DTXSID00384094, 2-acetyl-benzoic acid ethyl ester, Benzoic acid,2-acetyl-,ethyl ester, KS-00000G5Y, ZINC3884090, 7838AC, MFCD00173696, SBB091418, ETHYL2-ACETYLBENZENECARBOXYLATE, AKOS005070770, MCULE-7822545927, RP11366, AJ-47014, AK124155, DB-004559, FT-0642548, ST24046825, 6F-954, J-520683, I01-13135, C11H12O3, ZINC03884090, CID2799640,

Complexity	223
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	4
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number