AG00D9R9

443776-76-9 | 3-Hydroxymethylphenylboronic acid, pinacol ester

AG00D9R9

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CAS Number	443776-76-9
Catalog Number	AG00D9R9(AGN-PC-0712HW)
Chemical Name	3-Hydroxymethylphenylboronic acid, pinacol ester
IUPAC Name	[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
InChI	InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8,15H,9H2,1-4H3
InChI Key	ZEWWJJQAFTXUIS-UHFFFAOYSA-N
MDL Number	MFCD09266196
Molecular Formula	C13H19BO3
Molecular Weight	234.0992
SMILES	CC1(C)OB(OC1(C)C)C1=CC=CC(CO)=C1
Synonyms	443776-76-9, (3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol, 3-Hydroxymethylphenylboronic acid pinacol ester, 3-(Hydroxymethyl)phenylboronic acid pinacol ester, [3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol, MFCD09266196, [3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol, 3-Hydroxymethylphenylboronic acid, pinacol ester, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl alcohol, Benzenemethanol, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, AMTB056, SCHEMBL1284463, CTK8B4107, DTXSID40656787, ZEWWJJQAFTXUIS-UHFFFAOYSA-N, KS-00000QF1, ANW-43906, AKOS015949585, ZINC169745840, AS-2298, CS-W000934, RP07684, RTR-017075, AK-85431, AB0008801, TR-017075, 4CH-011975, FT-0685470, ST24020323, B-3204, 3-(Hydroxymethyl)benzenboronic acid pinacol ester, 3-(Hydroxymethyl)benzeneboronic acid pinacol ester, J-510883, 3-(Hydroxymethyl)phenylboronic acid pinacol ester, 96%, 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl alcohol, [3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]methanol, (3- METHANOL, 2-methoxypyrimidin-4-amine, C13H19BO3, ACN-044178,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.143g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.102g/mol
Monoisotopic Mass	234.143g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	38.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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