AG00FBJP

660440-57-3 | [4-(2-Ethoxycarbonylethyl)Phenyl]Boronic Acid

AG00FBJP

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CAS Number	660440-57-3
Catalog Number	AG00FBJP(AGN-PC-0TJ6WU)
Chemical Name	[4-(2-Ethoxycarbonylethyl)Phenyl]Boronic Acid
IUPAC Name	[4-(3-ethoxy-3-oxopropyl)phenyl]boronic acid
InChI	InChI=1S/C11H15BO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-4,6-7,14-15H,2,5,8H2,1H3
InChI Key	PRCOGZNDLWXGHB-UHFFFAOYSA-N
MDL Number	MFCD04115652
Molecular Formula	C11H15BO4
Molecular Weight	222.0454
SMILES	O=C(OCC)CCC1=CC=C(B(O)O)C=C1
Synonyms	660440-57-3, 4-(2-Ethoxycarbonylethyl)phenylboronic acid, [4-(2-ethoxycarbonylethyl)phenyl]boronic Acid, (4-(3-Ethoxy-3-oxopropyl)phenyl)boronic acid, 4-(3-ethoxy-3-oxopropyl)phenylboronic acid, [4-(3-ethoxy-3-oxopropyl)phenyl]boronic acid, 4-[2-ethoxycarbonylethyl]phenylboronic acid, ACMC-209ntd, AC1MY60L, SCHEMBL4630, CTK5C3420, DTXSID60397322, PRCOGZNDLWXGHB-UHFFFAOYSA-N, Ethyl 3-(4-boronophenyl)propionate, ZX-AT018535, ANW-35135, MFCD04115652, AKOS015838767, ZINC169745453, AB20332, AM87128, OR13176, RTR-022389, 4-(2-carbethoxyethyl)benzene-boronic acid, AX8106479, TR-022389, [4(2-ethoxycarbonylethyl)phenyl]boronic acid, 4-(2-ethoxycarbonylethyl)phenyl boronic acid, 4-(3-Ethoxy-3-oxopropyl)benzeneboronic acid, FT-0687775, X0927, 4-(2-ethoxycarbonyl-ethyl)-phenylboronic acid, 4-(2-ethoxycarbonyl-ethyl)phenyl boronic acid, B-8262, I04-2114, Ethyl 3-(4-boronophenyl)propionate, 4-(3-Ethoxy-3-oxopropyl)benzeneboronic acid, C11H15BO4, ACN-042716, CID3851700, 4-(2-Ethoxycarbonylethyl)benzeneboronic acid, [4-(2-ETHOXYCARBONYLETHYL)PHENYL]BORONICACID,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.106g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.047g/mol
Monoisotopic Mass	222.106g/mol
Rotatable Bond Count	6
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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

Lot Number