AG0025CJ

177490-82-3 | Boronic acid, B-[4-(acetyloxy)phenyl]-

AG0025CJ

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CAS Number	177490-82-3
Catalog Number	AG0025CJ(AGN-PC-0713DL)
Chemical Name	Boronic acid, B-[4-(acetyloxy)phenyl]-
IUPAC Name	(4-acetyloxyphenyl)boronic acid
InChI	InChI=1S/C8H9BO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5,11-12H,1H3
InChI Key	VILXJXDXZGKJLU-UHFFFAOYSA-N
MDL Number	MFCD09027198
Molecular Formula	C8H9BO4
Molecular Weight	179.9657
SMILES	O=C(OC1=CC=C(B(O)O)C=C1)C
Synonyms	177490-82-3, (4-Acetoxyphenyl)boronic acid, 4-Acetoxyphenylboronic acid, 4-Acetoxybenzeneboronic acid, 4-Acetyloxyphenylboronic acid, [4-(Acetyloxy)phenyl]boronic acid, MFCD09027198, Boronic acid, [4-(acetyloxy)phenyl]-, AK-81993, 4-Boronophenyl acetate, PubChem20170, ACMC-209ecy, SCHEMBL2717810, (4-acetyloxyphenyl)boronic acid, 4-(acetyloxy)phenylboronic acid, CTK4D6511, DTXSID90657300, ZX-AT017850, ANW-22880, FCH921576, OR5971, AKOS006344729, ZINC169745570, CA-1187, LS10860, RTR-008104, Boronic acid,B-[4-(acetyloxy)phenyl]-, ACM177490823, BC001330, Boronic acid, B-[4-(acetyloxy)phenyl]-, DS-16468, SY051069, AX8229366, ST2402405, TR-008104, X0577, MFCD09027198 (97%), B-7485, I04-1999, J-011287, (4-Acetoxyphenyl)boronicacid, C8H9BO4, ACN-032734, A2818,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.966g/mol
Monoisotopic Mass	180.059g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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