AG00CIS8

326477-70-7 | Copper(I) 3-methylsalicylate

AG00CIS8

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CAS Number	326477-70-7
Catalog Number	AG00CIS8(AGN-PC-0R7Z6T)
Chemical Name	Copper(I) 3-methylsalicylate
IUPAC Name	2-carboxy-6-methylphenolate;copper(1+)
InChI	InChI=1S/C8H8O3.Cu/c1-5-3-2-4-6(7(5)9)8(10)11;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1
InChI Key	CPPQOSMKJDPRID-UHFFFAOYSA-M
MDL Number	MFCD10699180
Molecular Formula	C8H7CuO3
Molecular Weight	214.6854
SMILES	O=C([O-])C1=CC=CC(C)=C1O.[Cu+]
Synonyms	Copper(I) 3-methylsalicylate, 326477-70-7, Copper(I) 2-hydroxy-3-methylbenzoate, SCHEMBL1333592, CTK5I4906, DTXSID50715753, 3-Methylsalicylic acid copper(I) salt, AKOS015842203, RP09300, RTR-039037, Copper(1+) 2-hydroxy-3-methylbenzoate, Copper(1+) 2-carboxy-6-methylphenolate, AX8228092, TR-039037, FT-0685052, $l^{1}-copper(1+) ion 2-hydroxy-3-methylbenzoate, J-018811,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.969g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.687g/mol
Monoisotopic Mass	213.969g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	60.4A^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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