AG000O10

1256345-79-5 | Boronic acid, B-(3-hydroxy-5-methylphenyl)-

AG000O10

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CAS Number	1256345-79-5
Catalog Number	AG000O10(AGN-PC-0WA8P5)
Chemical Name	Boronic acid, B-(3-hydroxy-5-methylphenyl)-
IUPAC Name	(3-hydroxy-5-methylphenyl)boronic acid
InChI	InChI=1S/C7H9BO3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9-11H,1H3
InChI Key	OYSWVVOTJWCGJA-UHFFFAOYSA-N
MDL Number	MFCD16618932
Molecular Formula	C7H9BO3
Molecular Weight	151.9556
SMILES	B(O)(O)c1cc(C)cc(c1)O
Synonyms	3-HYDROXY-5-METHYLPHENYLBORONIC ACID, 1256345-79-5, (3-Hydroxy-5-methylphenyl)boronic acid, ACMC-209avu, SCHEMBL15270190, CTK4B4499, DTXSID90681569, ANW-18376, FCH925263, MFCD16618932, AKOS006336511, ZINC169933997, AB71395, OR361260, TR-035156, X1826, B-2864, I04-2973, BORONIC ACID, B-(3-HYDROXY-5-METHYLPHENYL)-, C7H9BO3,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.064g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	151.956g/mol
Monoisotopic Mass	152.064g/mol
Rotatable Bond Count	1
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

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