AG0016A5

1218790-88-5 | Boronic acid, B-[4-(hydroxymethyl)-3-methylphenyl]-

AG0016A5

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CAS Number	1218790-88-5
Catalog Number	AG0016A5(AGN-PC-0WAAHK)
Chemical Name	Boronic acid, B-[4-(hydroxymethyl)-3-methylphenyl]-
IUPAC Name	[4-(hydroxymethyl)-3-methylphenyl]boronic acid
InChI	InChI=1S/C8H11BO3/c1-6-4-8(9(11)12)3-2-7(6)5-10/h2-4,10-12H,5H2,1H3
InChI Key	SLIUMAXFJNQYHZ-UHFFFAOYSA-N
MDL Number	MFCD09996880
Molecular Formula	C8H11BO3
Molecular Weight	165.9821
SMILES	CC1=CC(B(O)O)=CC=C1CO
Synonyms	1218790-88-5, 4-HYDROXYMETHYL-3-METHYLPHENYLBORONIC ACID, (4-(Hydroxymethyl)-3-methylphenyl)boronic acid, [4-(hydroxymethyl)-3-methylphenyl]boronic acid, ACMC-209aip, SCHEMBL14120483, CTK4B2857, DTXSID20675315, ANW-17903, FCH880037, MFCD09996880, AKOS006303067, ZINC169748114, GS-5733, 4-Hydroxymethyl-3-methylphenylboronicacid, BC001847, AX8218087, TR-034851, 4-(Hydroxymethyl)-3-methylphenylboronic acid, ST24034575, X1737, KS-00002653, B-6677, I04-2980, 4-hydroxymethyl-3-methylphenylboronic acid, AldrichCPR, Boronic acid, B-[4-(hydroxymethyl)-3-methylphenyl]-, C8H11BO3, ACN-044294,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.08g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	165.983g/mol
Monoisotopic Mass	166.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.7A^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

Certificate of Analysis

Lot Number