AG00FAQ1

66737-88-0 | 3-tert-butyl-4-hydroxybenzoic acid

AG00FAQ1

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CAS Number	66737-88-0
Catalog Number	AG00FAQ1(AGN-PC-001B36)
Chemical Name	3-tert-butyl-4-hydroxybenzoic acid
IUPAC Name	3-tert-butyl-4-hydroxybenzoic acid
InChI	InChI=1S/C11H14O3/c1-11(2,3)8-6-7(10(13)14)4-5-9(8)12/h4-6,12H,1-3H3,(H,13,14)
InChI Key	PVFDJRIEGYDIEK-UHFFFAOYSA-N
MDL Number	MFCD00016535
Molecular Formula	C11H14O3
Molecular Weight	194.2271
SMILES	O=C(O)C1=CC=C(O)C(C(C)(C)C)=C1
Synonyms	66737-88-0, 3-TERT-BUTYL-4-HYDROXYBENZOIC ACID, 3-(tert-Butyl)-4-hydroxybenzoic acid, Benzoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-, SCHEMBL384263, CTK1J4349, DTXSID40559865, PVFDJRIEGYDIEK-UHFFFAOYSA-N, ZINC2566008, 4-hydroxy-3-tert.butyl benzoic acid, MFCD00016535, RW3416, AKOS016011230, AS06285, CM10134, FCH1146328, MB00243, QC-2327, (+/-)-2-PHENYLCYCLO HEPTANONE, AJ-41201, AM806064, AS-43167, SY045089, AX8089228, DB-073791, FT-0084758, FT-0660324, X5654, MFCD00016535 (95%), A21106, 3-tert-Butyl-4-hydroxybenzoic acid, AldrichCPR, C-57431, 3-Tert-Butyl-4-Hydroxybenzoicacid, C11H14O3, 14996-78-2, 859034-02-9,

Complexity	217
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	2
Isotope Atom Count	0
Molecular Weight	194.23g/mol
Monoisotopic Mass	194.094g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number