AG00EHT7

622864-48-6 | Boronic acid, (3-hydroxy-4-methoxyphenyl)- (9CI)

AG00EHT7

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CAS Number	622864-48-6
Catalog Number	AG00EHT7(AGN-PC-0WA8OZ)
Chemical Name	Boronic acid, (3-hydroxy-4-methoxyphenyl)- (9CI)
IUPAC Name	(3-hydroxy-4-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H9BO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9-11H,1H3
InChI Key	YOPHDOOHKDJUAM-UHFFFAOYSA-N
MDL Number	MFCD12025997
Molecular Formula	C7H9BO4
Molecular Weight	167.9550
SMILES	c1(c(ccc(c1)B(O)O)OC)O
Synonyms	622864-48-6, (3-Hydroxy-4-methoxyphenyl)boronic acid, 3-Hydroxy-4-methoxyphenylboronic acid, ACMC-1B8XK, Boronic acid, (3-hydroxy-4-methoxyphenyl)- (9CI), SCHEMBL3484229, CTK5B4862, DTXSID80621111, YOPHDOOHKDJUAM-UHFFFAOYSA-N, ANW-34136, FCH898083, MFCD12025997, 3-hydroxy-4-methoxybenzeneboronic acid, AKOS006315831, ZINC169746681, RTR-021407, AS-18715, OR360426, AX8231594, TR-021407, FT-0734099, ST24020415, X0906, 3-Hydroxy-4-methoxyphenylboronic acid, AldrichCPR, I04-2964, Boronicacid, -, C7H9BO4,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	167.955g/mol
Monoisotopic Mass	168.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	69.9A^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