AG003K03

454185-96-7 | (4-METHOXYCARBONYLMETHYLPHENYL)BORONIC ACID

AG003K03

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CAS Number	454185-96-7
Catalog Number	AG003K03(AGN-PC-005K5W)
Chemical Name	(4-METHOXYCARBONYLMETHYLPHENYL)BORONIC ACID
IUPAC Name	[4-(2-methoxy-2-oxoethyl)phenyl]boronic acid
InChI	InChI=1S/C9H11BO4/c1-14-9(11)6-7-2-4-8(5-3-7)10(12)13/h2-5,12-13H,6H2,1H3
InChI Key	CKXOGMXYISAZGN-UHFFFAOYSA-N
MDL Number	MFCD09997796
Molecular Formula	C9H11BO4
Molecular Weight	193.9922
SMILES	OB(O)C1=CC=C(CC(OC)=O)C=C1
Synonyms	454185-96-7, (4-(2-Methoxy-2-oxoethyl)phenyl)boronic acid, 4-(2-Methoxy-2-oxoethyl)phenylboronic Acid, (4-Methoxycarbonylmethyl)phenylboronic acid, (4-Methoxycarbonylmethylphenyl)boronic acid, [4-(2-methoxy-2-oxoethyl)phenyl]boronic acid, J-501314, Methyl (4-boronophenyl)acetate, SCHEMBL1240497, CTK8B7092, KS-00000ARW, DTXSID70460470, ANW-56353, MFCD09997796, AKOS006305220, ZINC169745492, RP25287, TRA0048927, AK-94801, CS-11530, OR361341, SC-93679, SY024076, 4-(2-Methoxy-2-oxoethyl)phenylboronicAcid, AX8196233, TR-036827, CS-0036604, FT-0733309, ST24026245, V6024, J3.634.977H, MFCD09997796 (95%), B-2664, 4-(Dihydroxyboryl)phenylacetic acid methyl ester, I04-6502, C9H11BO4, CID11264019, [4-(methoxycarbonylmethyl)phenyl]boronic Acid,

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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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