AG0075K9

1187209-18-2 | 2-(4-Boronophenyl)-2-methylpropanoic acid

AG0075K9

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CAS Number	1187209-18-2
Catalog Number	AG0075K9(AGN-PC-08XZXO)
Chemical Name	2-(4-Boronophenyl)-2-methylpropanoic acid
IUPAC Name	2-(4-boronophenyl)-2-methylpropanoic acid
InChI	InChI=1S/C10H13BO4/c1-10(2,9(12)13)7-3-5-8(6-4-7)11(14)15/h3-6,14-15H,1-2H3,(H,12,13)
InChI Key	QAMVLOFDQNAZOP-UHFFFAOYSA-N
MDL Number	MFCD09991614
Molecular Formula	C10H13BO4
Molecular Weight	208.0188
SMILES	CC(C)(C1=CC=C(B(O)O)C=C1)C(O)=O
Synonyms	2-(4-Boronophenyl)-2-methylpropanoic acid, 1187209-18-2, ACMC-2099y2, SCHEMBL2554315, CTK8A9385, DTXSID70679424, QAMVLOFDQNAZOP-UHFFFAOYSA-N, ANW-17160, MFCD09991614, AKOS015892966, ZINC169746258, AS-37050, OR360762, AB0065010, AX8230028, TC-105905, ST24021746, Z7940, A-2625, I04-1727, C10H13BO4, 2-(4-Boronophenyl)-2-methylpropanoicacid,

Complexity	232
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	3
Isotope Atom Count	0
Molecular Weight	208.02g/mol
Monoisotopic Mass	208.091g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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