Zinquin 10mg

CAT: 0628-A16964-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A16964-10Size:10 mg

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CAS Number

151606-29-0

Chemical Information

Zinquin

zinquin is an ethyl ester in second source; specific chelator for zinc(II)

CAS Number	151606-29-0
PubChem CID	132933
IUPAC Name	2-[2-methyl-8-[(4-methylphenyl)sulfonylamino]quinolin-6-yl]oxyacetic acid
Molecular Formula	C19H18N2O5S
Molecular Weight	386.4
XLogP	3
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	612

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)OCC(=O)O)C=CC(=N3)C

InChI

InChI=1S/C19H18N2O5S/c1-12-3-7-16(8-4-12)27(24,25)21-17-10-15(26-11-18(22)23)9-14-6-5-13(2)20-19(14)17/h3-10,21H,11H2,1-2H3,(H,22,23)

InChIKey

CGNKOBNGEFZRQU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 151606-29-0

CID: 132933

Formula: C19H18N2O5S

MW: 386.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	386.4
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	386.09364285
Monoisotopic Mass	386.09364285
Topological Polar Surface Area	114 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	612
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes