AG003UAA

52542-80-0 | Sodium (Trihydroxy)phenylborate

AG003UAA

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CAS Number	52542-80-0
Catalog Number	AG003UAA(AGN-PC-0SD03C)
Chemical Name	Sodium (Trihydroxy)phenylborate
IUPAC Name	sodium;trihydroxy(phenyl)boranuide
InChI	InChI=1S/C6H8BO3.Na/c8-7(9,10)6-4-2-1-3-5-6;/h1-5,8-10H;/q-1;+1
InChI Key	ZNXSFEXRXNJDNK-UHFFFAOYSA-N
MDL Number	MFCD11042682
Molecular Formula	C6H8BNaO3
Molecular Weight	161.9267
SMILES	O[B-](O)(O)C1=CC=CC=C1.[Na+]
Synonyms	Sodium (Trihydroxy)phenylborate, 52542-80-0, Sodium trihydroxy(phenyl)borate, Oxo(Phenyl)-Boranediol, CHEMBL2373151, SCHEMBL15153997, DTXSID50659805, MFCD11042682, Sodium trihydroxy(phenyl)borate(1-), ACM52542800, S0558,

Complexity	109
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.046g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	161.927g/mol
Monoisotopic Mass	162.046g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	60.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number