AG003FNK

135159-25-0 | 2,4,6-TRIMETHOXYPHENYLBORONIC ACID

AG003FNK

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CAS Number	135159-25-0
Catalog Number	AG003FNK(AGN-PC-0L71XX)
Chemical Name	2,4,6-TRIMETHOXYPHENYLBORONIC ACID
IUPAC Name	(2,4,6-trimethoxyphenyl)boronic acid
InChI	InChI=1S/C9H13BO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5,11-12H,1-3H3
InChI Key	PKLRXZVPEQJTTJ-UHFFFAOYSA-N
MDL Number	MFCD01114642
Molecular Formula	C9H13BO5
Molecular Weight	212.0075
SMILES	COC1=CC(OC)=C(B(O)O)C(OC)=C1
Synonyms	2,4,6-Trimethoxyphenylboronic acid, 135159-25-0, 2,4,6-TRIMETHOXYBENZENEBORONIC ACID, (2,4,6-trimethoxyphenyl)boronic Acid, MFCD01114642, Boronic acid,B-(2,4,6-trimethoxyphenyl)-, PubChem9566, 1,3,5-trimethoxybenzene-2-bronic ester, ACMC-1CIRZ, AC1N5NPT, SCHEMBL841371, CTK4B9685, DTXSID40400722, ABLOCK AB-12-9177, PKLRXZVPEQJTTJ-UHFFFAOYSA-N, ZX-AT001339, ANW-19752, BBL100504, CT-487, OR4003, STL554298, TE6125, AKOS003585306, ZINC169747045, AB08310, MCULE-8507317641, PS-9494, RL01587, RTR-004752, TRA0080268, VB10403, BBV-2090821, AC-20574, BC001152, BP-10529, 2,4,6-TRIMETHOXYBENZENEBORONICACID, AX8066293, DB-010309, TR-004752, FT-0654396, ST24038597, V1901, B-3741, 1,3,5-TRIMETHOXYBENZENE-2-BORONIC ESTER, 159T250, A806891, I04-0621, J-507081, C9H13BO5, CID4197996,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.086g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	212.008g/mol
Monoisotopic Mass	212.086g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	68.2A^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-P305+P351+P338
UN Code

Certificate of Analysis

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