AG003O1S

361456-68-0 | Benzo[d][1,3]dioxol-4-ylboronic acid

AG003O1S

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CAS Number	361456-68-0
Catalog Number	AG003O1S(AGN-PC-0L6YL7)
Chemical Name	Benzo[d][1,3]dioxol-4-ylboronic acid
IUPAC Name	1,3-benzodioxol-4-ylboronic acid
InChI	InChI=1S/C7H7BO4/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3,9-10H,4H2
InChI Key	BEIKNVAUEWMMAZ-UHFFFAOYSA-N
MDL Number	MFCD03095113
Molecular Formula	C7H7BO4
Molecular Weight	165.9391
SMILES	OB(C1=C2OCOC2=CC=C1)O
Synonyms	361456-68-0, Benzo[d][1,3]dioxol-4-ylboronic acid, 2,3-METHYLENEDIOXYPHENYLBORONIC ACID, Boronic acid, 1,3-benzodioxol-4-yl-, 1,3-benzodioxol-4-ylboronic acid, (2H-1,3-BENZODIOXOL-4-YL)BORONIC ACID, PubChem1869, AC1N5BYF, ACMC-209il6, Boronic acid, 1,3-benzodioxol-4-yl- (9CI), SCHEMBL962423, CTK1B6481, KS-00000OPR, DTXSID50400617, BEIKNVAUEWMMAZ-UHFFFAOYSA-N, 1,3-Benzodioxole-4-ylboranic acid, ANW-28360, MFCD03095113, (1,3-benzodioxol-4-yl)boronic acid, 2,3-Methylenedioxyphenyl boronic acid, AKOS006279441, ZINC169747939, AB13495, RTR-014855, 1,3-BENZODIOXOLE-4-BORONIC ACID, AK-64421, DS-15572, TR-014855, FT-0690857, ST24046049, X0743, A-9191, A823141, I04-2381, C7H7BO4, Benzo[1,3]dioxol-4-ylboronic Acid, Boronicacid,1,3-benzodioxol-4-yl-, CID4192659,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.044g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.939g/mol
Monoisotopic Mass	166.044g/mol
Rotatable Bond Count	1
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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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