AG00BBQY

301699-39-8 | 3,5-Dimethyl-4-methoxyphenylboronic acid

AG00BBQY

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CAS Number	301699-39-8
Catalog Number	AG00BBQY(AGN-PC-0L0HWQ)
Chemical Name	3,5-Dimethyl-4-methoxyphenylboronic acid
IUPAC Name	(4-methoxy-3,5-dimethylphenyl)boronic acid
InChI	InChI=1S/C9H13BO3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5,11-12H,1-3H3
InChI Key	WZUCSPWZHRVOSD-UHFFFAOYSA-N
MDL Number	MFCD01114648
Molecular Formula	C9H13BO3
Molecular Weight	180.0087
SMILES	COC1=C(C)C=C(C=C1C)B(O)O
Synonyms	3,5-Dimethyl-4-methoxyphenylboronic acid, 301699-39-8, 3,5-Dimethyl-4-methoxybenzeneboronic acid, (4-methoxy-3,5-dimethylphenyl)boronic acid, (4-methoxy-3,5-dimethyl-phenyl)boronic Acid, 4-Methoxy-3,5-dimethylphenylboronic acid, MFCD01114648, Boronic acid, (4-methoxy-3,5-dimethylphenyl)-, 4-METHOXY-3,5-DIMETHYLBENZENEBORONIC ACID, 3,5-Dimethyl-4-methoxyphenylboronic acid, 95%, PubChem6937, AC1MXLPR, ACMC-209hdl, SCHEMBL11447, AC1Q44P8, CTK4G4608, DTXSID20396836, WZUCSPWZHRVOSD-UHFFFAOYSA-N, BM354, ANW-26791, AKOS004116145, ZINC169743546, AB08315, CD-1095, MCULE-4350131647, RL03058, RP09422, RTC-068773, TRA0081687, VB10236, 3,5-Dimethyl-4-methoxybenzeneboronicacid, (4-methoxy-3,5-dimethylphenyl)boranediol, AN-28925, AS-55600, N878, 3,5-dimethyl-4-methoxy-phenylboronic acid, 3,5-Dimethyl-4-methoxyphenyl boronic acid, 3,5-dimethyl-4-methoxybenzene boronic acid, AB0016104, AB1007980, DB-010517, ST2417306, (3,5-Dimethyl-4-methoxyphenyl)boronic acid, FT-0644374, M2685, B-8099, Boronic acid,B-(4-methoxy-3,5-dimethylphenyl)-, 3,5-Dimethyl-4-methoxyphenylboronic acid, >=95%, A820247, I01-3589, J-511351, C9H13BO3, CID3817586, 3,5-Dimethyl-4-methoxyphenylboronicacid, 3,5-Dimethyl-4-methoxyphenylboronic acid, 98% - 1G 1g,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.096g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.01g/mol
Monoisotopic Mass	180.096g/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
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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