AG003Q2U

529-68-0 | Ethyl 2-acetoxybenzoate

AG003Q2U

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CAS Number	529-68-0
Catalog Number	AG003Q2U(AGN-PC-0JK9O9)
Chemical Name	Ethyl 2-acetoxybenzoate
EC Number	208-467-4
IUPAC Name	ethyl 2-acetyloxybenzoate
InChI	InChI=1S/C11H12O4/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12/h4-7H,3H2,1-2H3
InChI Key	UYDSGXAKLVZWIJ-UHFFFAOYSA-N
MDL Number	MFCD00026824
Molecular Formula	C11H12O4
Molecular Weight	208.2106
SMILES	O=C(OCC)C1=CC=CC=C1OC(C)=O
UNII	VX19C5613T
Synonyms	Ethyl 2-acetoxybenzoate, 529-68-0, ETHYL ACETYLSALICYLATE, Acetylsalicylic Acid Ethyl Ester, Ethyl O-acetylsalicylate, UNII-VX19C5613T, ethyl 2-acetyloxybenzoate, VX19C5613T, EINECS 208-467-4, EthylAcetylsalicylate, AI3-05003, AC1L1VTK, ACMC-1AWI1, Ethyl 2-acetoxybenzoate, 98%, SCHEMBL1872604, CTK8B1824, DTXSID60200948, 2-Acetoxybenzoic Acid Ethyl Ester, ZINC404043, KS-000013UA, ANW-31600, MFCD00026824, AKOS015888374, AJ-22209, ZB013357, Benzoic acid, 2-(acetyloxy)-, ethyl ester, DB-052227, TC-120345, FT-0632313, I01-10366, CID10728, C11-H12-O4, Benzoic acid,2-(acetyloxy)-, ethyl ester, A1592,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.213g/mol
Monoisotopic Mass	208.074g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
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Certificate of Analysis

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