AG00DHVR

518336-20-4 | 4-(1-HYDROXYETHYL)PHENYLBORONIC ACID

AG00DHVR

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CAS Number	518336-20-4
Catalog Number	AG00DHVR(AGN-PC-0MUMTI)
Chemical Name	4-(1-HYDROXYETHYL)PHENYLBORONIC ACID
IUPAC Name	[4-(1-hydroxyethyl)phenyl]boronic acid
InChI	InChI=1S/C8H11BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10-12H,1H3
InChI Key	QORATNLZEOZUPG-UHFFFAOYSA-N
MDL Number	MFCD04112543
Molecular Formula	C8H11BO3
Molecular Weight	165.9821
SMILES	OC(C)C1=CC=C(C=C1)B(O)O
Synonyms	(4-(1-Hydroxyethyl)phenyl)boronic acid, 518336-20-4, 4-(1-Hydroxyethyl)phenylboronic acid, [4-(1-hydroxyethyl)phenyl]boronic Acid, Boronic acid, [4-(1-hydroxyethyl)phenyl]-, SCHEMBL4747797, DTXSID40431814, KS-00000RK2, MFCD04112543, AKOS016846102, AM90105, DS-4756, AK134194, DA-05270, SY103371, ST2408001, 4CH-016534, CS-0029540, FT-0735990, MFCD04112543 (95%), ACN-046531, CID9855568, (4-(1-HYDROXYETHYL)PHENYL)BORONICACID,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.08g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	165.983g/mol
Monoisotopic Mass	166.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	1
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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