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15158-67-5

15158-67-5 | Cerate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, (OC-6-21)-

CAS No: 15158-67-5 Catalog No: AG001NF0 MDL No:

Product Description

Catalog Number:
AG001NF0
Chemical Name:
Cerate(1-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, (OC-6-21)-
CAS Number:
15158-67-5
Molecular Formula:
C10H12CeN2O8
Molecular Weight:
428.3269
IUPAC Name:
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;cerium
InChI:
InChI=1S/C10H16N2O8.Ce/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/p-4
InChI Key:
MPGGSFTUPUKCBS-UHFFFAOYSA-J
SMILES:
[O-]C(=O)CN(CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Ce+4]

Properties

Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.965g/mol
Formal Charge:
-4  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.328g/mol
Monoisotopic Mass:
427.965g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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