AG007XZ2

15360-02-8 | 3-(tert-Butoxy)benzenecarboxylic acid

AG007XZ2

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CAS Number	15360-02-8
Catalog Number	AG007XZ2(AGN-PC-0JTC9O)
Chemical Name	3-(tert-Butoxy)benzenecarboxylic acid
IUPAC Name	3-[(2-methylpropan-2-yl)oxy]benzoic acid
InChI	InChI=1S/C11H14O3/c1-11(2,3)14-9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChI Key	IURSJORDCNZJFE-UHFFFAOYSA-N
MDL Number	MFCD03412397
Molecular Formula	C11H14O3
Molecular Weight	194.2271
SMILES	O=C(O)C1=CC=CC(OC(C)(C)C)=C1
Synonyms	15360-02-8, 3-(tert-butoxy)benzoic acid, 3-tert-Butoxybenzoic acid, 3-(tert-butoxy)benzenecarboxylic acid, Benzoic acid, 3-(1,1-dimethylethoxy)-, m-tert-Butoxybenzoic acid, IURSJORDCNZJFE-UHFFFAOYSA-N, 3-[(2-methylpropan-2-yl)oxy]benzoic acid, Benzoic acid, m-tert-butoxy-, 3-tert-ButoxybenzoicAcid, AC1LBP5W, 3-tert-butoxy-benzoic acid, 3-tert-Butoxybenzoic acid #, tertbutoxybenzenecarboxylicacid, SCHEMBL593324, CTK4C7914, DTXSID20343002, KS-00000CQ9, ZINC2529955, 7705AA, ANW-54936, MFCD03412397, SBB091740, AKOS005069649, AB14387, MCULE-3349858536, RP11477, AJ-38472, SY015515, DB-024213, TR-006361, FT-0680082, MFCD03412397 (95%), Z-2520, 12P-016, J-510986, I01-13188, Z2754447849, C11H14O3, CID586598,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.094g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number