AG008336

1122568-09-5 | (2-(2-Methoxyethoxy)phenyl)boronic acid

AG008336

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CAS Number	1122568-09-5
Catalog Number	AG008336(AGN-PC-01ZQBD)
Chemical Name	(2-(2-Methoxyethoxy)phenyl)boronic acid
IUPAC Name	[2-(2-methoxyethoxy)phenyl]boronic acid
InChI	InChI=1S/C9H13BO4/c1-13-6-7-14-9-5-3-2-4-8(9)10(11)12/h2-5,11-12H,6-7H2,1H3
InChI Key	FVUUWXVSSBFFPS-UHFFFAOYSA-N
MDL Number	MFCD11183165
Molecular Formula	C9H13BO4
Molecular Weight	196.0081
SMILES	COCCOC1=CC=CC=C1B(O)O
Synonyms	1122568-09-5, (2-(2-Methoxyethoxy)phenyl)boronic acid, 2-(2-METHOXYETHOXY)PHENYLBORONIC ACID, MFCD11183165, [2-(2-methoxyethoxy)phenyl]boronic acid, ACMC-2099dq, SCHEMBL1144679, CTK4A7726, DTXSID90595571, FVUUWXVSSBFFPS-UHFFFAOYSA-N, ANW-16428, AKOS009318577, ZINC169746753, AM86312, 2-(2-methoxy-ethoxy)-phenylboronic acid, AX8239842, TR-034076, ST24020152, Z7373, A-4951, I04-2695, C9H13BO4, (2-(2-Methoxyethoxy)phenyl)boronicacid,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.091g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	196.009g/mol
Monoisotopic Mass	196.091g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	58.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number