AG008SIO

1187591-17-8 | 2-Carboxyphenylboronic acid, pinacol ester

AG008SIO

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CAS Number	1187591-17-8
Catalog Number	AG008SIO(AGN-PC-0WA6CT)
Chemical Name	2-Carboxyphenylboronic acid, pinacol ester
IUPAC Name	2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI	InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-8-6-5-7-9(10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChI Key	WEMYAYYFODFKCV-UHFFFAOYSA-N
MDL Number	MFCD08458199
Molecular Formula	C13H17BO4
Molecular Weight	248.0827
SMILES	O=C(O)C1=CC=CC=C1B2OC(C)(C)C(C)(C)O2
Synonyms	1187591-17-8, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 2-Carboxyphenylboronic acid, pinacol ester, SCHEMBL1130915, BM557, MFCD08458199, AKOS025293562, ZINC169856405, CS-W000862, FCH2819773, KS-00000T99, AK186425, DS-10073, OR360890, B-6578, 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)benzoic acid, 2-Carboxyphenylboronic acid pinacol ester, ACN-044108, 2-Carboxyphenylboronic acid,pinacol ester,

Complexity	324
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.122g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.085g/mol
Monoisotopic Mass	248.122g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.8A^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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