AG00BDTA

279262-11-2 | 4-Methoxymethylbenzeneboronic acid

AG00BDTA

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CAS Number	279262-11-2
Catalog Number	AG00BDTA(AGN-PC-0KZ67Y)
Chemical Name	4-Methoxymethylbenzeneboronic acid
IUPAC Name	[4-(methoxymethyl)phenyl]boronic acid
InChI	InChI=1S/C8H11BO3/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5,10-11H,6H2,1H3
InChI Key	VTNVZXAYRMTKON-UHFFFAOYSA-N
MDL Number	MFCD03788426
Molecular Formula	C8H11BO3
Molecular Weight	165.9821
SMILES	B(O)(O)c1ccc(cc1)COC
Synonyms	279262-11-2, 4-(Methoxymethyl)phenylboronic acid, (4-(Methoxymethyl)phenyl)boronic acid, 4-Methoxymethylbenzeneboronic acid, 4-Methoxymethylphenylboronic acid, [4-(methoxymethyl)phenyl]boronic Acid, 4-(Methoxymethyl)benzeneboronic Acid, MFCD03788426, AC1MWGNS, ACMC-1CR68, SCHEMBL104085, CTK4D1298, DTXSID30395552, 4-methoxymethyl-phenylboronic acid, 4-methoxymethylphenyl boronic acid, VTNVZXAYRMTKON-UHFFFAOYSA-N, 4-methoxymethyl-benzene boronic acid, ANW-26296, AKOS004116558, ZINC169744782, AB16006, ACN-032757, AM86823, CM-2254, LS10896, M4203G1, PS-9462, RTR-012426, VB10695, AK-59627, BC001946, SC-53282, Boronic acid,B-[4-(methoxymethyl)phenyl]-, DB-067851, ST2402391, TR-012426, Boronic acid,B-[4-(methoxymethoxy)phenyl]-, FT-0676998, M2677, X1350, 4-methoxymethylphenylboronic acid, AldrichCPR, C-1513, A810401, I04-2690, C8H11BO3, (4-(Methoxymethoxy)phenyl)boronic acid, 162662-27-3, CID3723812, 4-METHOXYMETHYLBENZENEBORONICACID, 4-(METHOXYMETHOXY)PHENYLBORONIC ACID, 4-(Methoxymethyl)Phenylboronic Acid (Contains Varying Amounts Of Anhydride),

Complexity	122
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	3
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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