AG00GT0K

90111-58-3 | 4-CARBOXYMETHYL-PHENYLBORONIC ACID

AG00GT0K

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CAS Number	90111-58-3
Catalog Number	AG00GT0K(AGN-PC-03H38G)
Chemical Name	4-CARBOXYMETHYL-PHENYLBORONIC ACID
IUPAC Name	2-(4-boronophenyl)acetic acid
InChI	InChI=1S/C8H9BO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4,12-13H,5H2,(H,10,11)
InChI Key	NFGJQVPDPIGBJE-UHFFFAOYSA-N
MDL Number	MFCD03425919
Molecular Formula	C8H9BO4
Molecular Weight	179.9657
SMILES	O=C(O)CC1=CC=C(B(O)O)C=C1
Synonyms	2-(4-Boronophenyl)acetic acid, 90111-58-3, 4-Carboxymethylphenylboronic acid, 4-(Carboxymethyl)phenylboronic acid, Benzeneacetic acid, 4-borono-, 4-Boronophenylacetic acid, 4-CARBOXYMETHYL-PHENYLBORONIC ACID, 4-Acetic acid-benzeneboronic acid, 4-BORONOBENZENEACETIC ACID, AK-93886, [4-(DIHYDROXYBORYL)PHENYL]ACETIC ACID, ACMC-209r4w, (4-Boronophenyl)acetic acid, SCHEMBL207657, p-carboxymethylphenylboronic acid, CTK5G7423, DTXSID90619286, 4-carboxymethylphenyl boronic acid, NFGJQVPDPIGBJE-UHFFFAOYSA-N, ZXBA000614, 4-carboxymethyl-phenyl boronic acid, KS-00000Q1G, ZX-AT017745, 4-(Carboxymethyl)benzeneboronic acid, ANW-39438, FCH835809, 4-(carboxymethyl)-phenyl boronic acid, AKOS006282986, ZINC169743623, AB14708, AM90150, OR48251, [4-(dihydroxyboranyl)phenyl]acetic acid, AN-35061, AS-18073, 4-(Carboxymethyl)phenylboronic acid, 97%, AX8231250, DB-078594, TR-028350, CS-0042847, FT-0705490, ST24021747, V8885, B-4817, 4-(Carboxymethyl)phenylboronic acid, AldrichCPR, 111B583, 2-[4-(DIHYDROXYBORANYL)PHENYL]ACETIC ACID, 4-boronophenylacetic acid, (4-boronophenyl)acetic acid, 4-(Carboxymethyl)benzeneboronic acid;4-Boronophenylacetic acid, C8H9BO4, ACN-044149,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	179.966g/mol
Monoisotopic Mass	180.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
Signal Words	warning
UN Code

Certificate of Analysis

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