AG004LQF

876189-19-4 | 4-Methoxycarbonyl-3,5-dimethylphenylboronic acid

AG004LQF

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CAS Number	876189-19-4
Catalog Number	AG004LQF(AGN-PC-0VFE3O)
Chemical Name	4-Methoxycarbonyl-3,5-dimethylphenylboronic acid
IUPAC Name	(4-methoxycarbonyl-3,5-dimethylphenyl)boronic acid
InChI	InChI=1S/C10H13BO4/c1-6-4-8(11(13)14)5-7(2)9(6)10(12)15-3/h4-5,13-14H,1-3H3
InChI Key	PZRQLKHCAJPJDQ-UHFFFAOYSA-N
MDL Number	MFCD11111428
Molecular Formula	C10H13BO4
Molecular Weight	208.0188
SMILES	CC1=C(C(OC)=O)C(C)=CC(B(O)O)=C1
Synonyms	876189-19-4, (4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronic acid, 4-METHOXYCARBONYL-3,5-DIMETHYLPHENYLBORONIC ACID, (4-methoxycarbonyl-3,5-dimethylphenyl)boronic acid, AK-46462, [4-(Methoxycarbonyl)-3,5-dimethylphenyl]boronic acid, PubChem15783, ACMC-209qou, SCHEMBL15956516, CTK5F8770, DTXSID90478956, ANW-38860, CM-815, MFCD11111428, AKOS015852120, ZINC169917549, DS-13877, OR360047, AX8098529, TR-027551, A-3475, A842297, (4-methoxycarbonyl-3,5-dimethyl-phenyl)boronic acid, I04-2636, J-515662, 2,6-Dimethyl-4-(dihydroxyboryl)benzoic acid methyl ester, Benzoic acid,4-borono-2,6-dimethyl-, 1-methyl ester (9CI), 4-Methoxycarbonyl-3,5-dimethylphenylboronicacid,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.091g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	208.02g/mol
Monoisotopic Mass	208.091g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^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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