AG007SAH

186498-36-2 | 4-(Propionyl)phenylboronic acid

AG007SAH

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CAS Number	186498-36-2
Catalog Number	AG007SAH(AGN-PC-0L71V7)
Chemical Name	4-(Propionyl)phenylboronic acid
IUPAC Name	(4-propanoylphenyl)boronic acid
InChI	InChI=1S/C9H11BO3/c1-2-9(11)7-3-5-8(6-4-7)10(12)13/h3-6,12-13H,2H2,1H3
InChI Key	SUXBGJJJOLDLKL-UHFFFAOYSA-N
MDL Number	MFCD04039038
Molecular Formula	C9H11BO3
Molecular Weight	177.9928
SMILES	O=C(C1=CC=C(B(O)O)C=C1)CC
Synonyms	186498-36-2, (4-Propionylphenyl)boronic acid, 4-(Propionyl)benzeneboronic acid, (4-propanoylphenyl)boronic Acid, 4-Propionylphenylboronic acid, 4-(Propionyl)phenylboronic acid, Boronic acid,B-[4-(1-oxopropyl)phenyl]-, AC1N5NGH, ACMC-209eo9, 4-propanoylphenylboronic acid, 4-(propanyl)phenylboronic acid, SCHEMBL3197452, 4-propionyl-phenyl boronic acid, CTK4D9256, DTXSID10400714, SUXBGJJJOLDLKL-UHFFFAOYSA-N, ZX-AT004201, ANW-23287, FCH918587, MFCD04039038, OR7254, AKOS004116036, ZINC169806832, AB17302, PS-9634, RTR-008611, ACM186498362, AX8236241, DB-065567, TR-008611, Boronic acid, B-[4-(1-oxopropyl)phenyl]-, FT-0715547, X0591, A-9057, I04-2197, (4-Propionylphenyl)boronicacid, C9H11BO3, CID4197863,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.08g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	177.994g/mol
Monoisotopic Mass	178.08g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	57.5A^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+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P501
UN Code

Certificate of Analysis

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