AG00ACCS

156428-81-8 | (4-Formyl-2-methylphenyl)boronic acid

AG00ACCS

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CAS Number	156428-81-8
Catalog Number	AG00ACCS(AGN-PC-0N3EQK)
Chemical Name	(4-Formyl-2-methylphenyl)boronic acid
IUPAC Name	(4-formyl-2-methylphenyl)boronic acid
InChI	InChI=1S/C8H9BO3/c1-6-4-7(5-10)2-3-8(6)9(11)12/h2-5,11-12H,1H3
InChI Key	ORHODDYPZMCLBU-UHFFFAOYSA-N
MDL Number	MFCD09839115
Molecular Formula	C8H9BO3
Molecular Weight	163.9663
SMILES	CC1=C(C=CC(C=O)=C1)B(O)O
Synonyms	156428-81-8, 4-FORMYL-2-METHYLPHENYLBORONIC ACID, (4-Formyl-2-methylphenyl)boronic acid, Boronic acid, B-(4-formyl-2-methylphenyl)-, (4-formyl-2-methyl-phenyl)boronic Acid, ACMC-209ddt, SCHEMBL789495, CTK4C9061, DTXSID30438832, ORHODDYPZMCLBU-UHFFFAOYSA-N, ANW-21615, FCH874529, MFCD09839115, 2-methyl-4-formylbenzene boronic acid, AKOS006328764, ZINC169747889, AB53513, AM90060, RTR-006556, BC002038, OR360221, Boronic acid, (4-formyl-2-methylphenyl)-, 2-METHYL-4-FORMYLPHENYLBORONIC ACID, AB0029192, AX8218085, TR-006556, CS-0061263, ST24034703, X1332, B-3773, I04-1939, C8H9BO3, (4-Formyl-2-methylphenyl)boronicacid, CID10374759,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	163.967g/mol
Monoisotopic Mass	164.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^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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