AG00C0CA

326496-51-9 | (4-Acetoxymethyl)phenylboronic acid

AG00C0CA

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CAS Number	326496-51-9
Catalog Number	AG00C0CA(AGN-PC-0N70PJ)
Chemical Name	(4-Acetoxymethyl)phenylboronic acid
IUPAC Name	[4-(acetyloxymethyl)phenyl]boronic acid
InChI	InChI=1S/C9H11BO4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5,12-13H,6H2,1H3
InChI Key	FPQABEOUQSYDPY-UHFFFAOYSA-N
MDL Number	MFCD08235082
Molecular Formula	C9H11BO4
Molecular Weight	193.9922
SMILES	O=C(OCC1=CC=C(B(O)O)C=C1)C
Synonyms	326496-51-9, (4-(Acetoxymethyl)phenyl)boronic acid, (4-Acetoxymethyl)phenylboronic acid, 4-(Acetoxymethyl)benzeneboronic acid, MFCD08235082, {4-[(Acetyloxy)methyl]phenyl}boronic acid, 4-(ACETOXYMETHYL)BENZENEBORONIC ACID 97, SCHEMBL2494202, CTK8B3977, DTXSID30442055, 4-Acetoxymethylbenzeneboronic acid, ZX-AT010072, ANW-43585, OR9468, AKOS006346242, ZINC169745166, RTR-013701, 4-[(acetyloxy)methyl]phenylboronic acid, ACM326496519, BC001331, AX8159882, TR-013701, ST24026249, V5187, A-3636, I04-6541, J-018818, C9H11BO4, 4- BENZENEBORONICACID97, (4-Acetoxymethyl)benzeneboronic acid, (4-(Acetoxymethyl)phenyl)boronicacid, ACN-042952, [4-(acetyloxymethyl)phenyl]boronic Acid, CID10583943,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.075g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	193.993g/mol
Monoisotopic Mass	194.075g/mol
Rotatable Bond Count	4
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-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

Lot Number