AG00BF6W

269409-74-7 | 3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

AG00BF6W

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CAS Number	269409-74-7
Catalog Number	AG00BF6W(AGN-PC-03HS9X)
Chemical Name	3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
IUPAC Name	3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI	InChI=1S/C14H19BO4/c1-9-8-10(12(16)17)6-7-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H,16,17)
InChI Key	YEGJMUXHTVEBND-UHFFFAOYSA-N
MDL Number	MFCD08061640
Molecular Formula	C14H19BO4
Molecular Weight	262.1093
SMILES	CC1=C(C=CC(=C1)C(O)=O)B1OC(C)(C)C(C)(C)O1
Synonyms	3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 269409-74-7, AK-77742, ACMC-209gu1, SCHEMBL320419, CTK8B1348, DTXSID30620174, YEGJMUXHTVEBND-UHFFFAOYSA-N, CS-B1244, ANW-26087, MFCD08061640, AKOS015888514, ZINC169955843, ACN-044102, AM90083, FCH2816662, AS-17961, OR361481, AX8223888, DB-023619, TC-114832, FT-0733449, V4824, K-6905, I01-11461, 3-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid, 3-Methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoic acid, C14H19BO4, 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOICACID,

Complexity	351
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	262.138g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	262.112g/mol
Monoisotopic Mass	262.138g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

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