AG003BSP

725251-81-0 | Boronic acid, (3-methoxy-5-methylphenyl)- (9CI)

AG003BSP

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CAS Number	725251-81-0
Catalog Number	AG003BSP(AGN-PC-07ASF3)
Chemical Name	Boronic acid, (3-methoxy-5-methylphenyl)- (9CI)
IUPAC Name	(3-methoxy-5-methylphenyl)boronic acid
InChI	InChI=1S/C8H11BO3/c1-6-3-7(9(10)11)5-8(4-6)12-2/h3-5,10-11H,1-2H3
InChI Key	DJBDBFHWWWCNER-UHFFFAOYSA-N
MDL Number	MFCD09952026
Molecular Formula	C8H11BO3
Molecular Weight	165.9821
SMILES	COC1=CC(C)=CC(=C1)B(O)O
Synonyms	725251-81-0, (3-Methoxy-5-methylphenyl)boronic acid, 3-METHOXY-5-METHYLPHENYLBORONIC ACID, BORONIC ACID, (3-METHOXY-5-METHYLPHENYL)-, ACMC-209ond, Boronic acid, (3-methoxy-5-methylphenyl)- (9CI), SCHEMBL2842208, CTK5D6374, DTXSID80668506, DJBDBFHWWWCNER-UHFFFAOYSA-N, ANW-36215, FCH878540, MFCD09952026, 3-Methoxy-5-methylphenyl boronic acid, AKOS006314733, ZINC169747926, AB55281, (3-Methoxy-5-methyl-phenyl)boronic acid, BC001512, OR360264, AX8217998, TX-011917, Boronic acid,B-(3-methoxy-5-methylphenyl)-, ST24034407, X0963, B-4909, I04-2683, C8H11BO3, ACN-044251,

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	2
Isotope Atom Count	0
Molecular Weight	165.983g/mol
Monoisotopic Mass	166.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
UN Code

Certificate of Analysis

Lot Number