AG003KAB

796875-53-1 | 4-(t-Butyl)-2-Ethoxy Benzoic Acid

AG003KAB

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CAS Number	796875-53-1
Catalog Number	AG003KAB(AGN-PC-051LUE)
Chemical Name	4-(t-Butyl)-2-Ethoxy Benzoic Acid
IUPAC Name	4-tert-butyl-2-ethoxybenzoic acid
InChI	InChI=1S/C13H18O3/c1-5-16-11-8-9(13(2,3)4)6-7-10(11)12(14)15/h6-8H,5H2,1-4H3,(H,14,15)
InChI Key	UZRSFWUQUGFVBS-UHFFFAOYSA-N
MDL Number	MFCD07366640
Molecular Formula	C13H18O3
Molecular Weight	222.2802
SMILES	C(C)(C)(C)C1=CC(=C(C(=O)O)C=C1)OCC
Synonyms	796875-53-1, 4-(Tert-Butyl)-2-ethoxybenzoic acid, 4-tert-Butyl-2-ethoxy-benzoic acid, 4-(t-Butyl)-2-Ethoxy Benzoic Acid, 4-tert-butyl-2-ethoxybenzoic acid, Benzoicacid, 4-(1,1-dimethylethyl)-2-ethoxy-, 4-(tert-butyl)-2-ethoxy-benzoic acid, AK-36411, KSC376S1B, SCHEMBL1546979, 4-t-butyl-2-ethoxybenzoic acid, CTK2H6910, KS-00000CTS, DTXSID00649635, UZRSFWUQUGFVBS-UHFFFAOYSA-N, 2-Ethoxy-4-tert-butylbenzoic acid, ACT09327, 4-(tert-Butyl)-2-ethoxybenzoicAcid, ANW-51033, MFCD07366640, ZINC12648897, AKOS015838106, 4-(tert-butyl)-2-ethoxy benzoic acid, AN-9796, CS-W003367, RP27395, RTR-037868, TRA0051893, VZ35303, AJ-62807, AN-27419, BR-36411, DA-17026, DS-12928, SY021367, AB0026766, AX8091613, ST2411037, TR-037868, 4CH-015709, FT-0082732, FT-0650566, W8509, S-3179, 4-tert-Butyl-2-ethoxy-benzoic acid, AldrichCPR, MFCD07366640 (97+%), 875B531, J-516002, S01-0251, 4- -2-EthoxyBenzoicAcid, 4-tert-Butyl-2-ethoxy-benzoicacid, C13H18O3, 73469-54-2,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.126g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.284g/mol
Monoisotopic Mass	222.126g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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