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Holmium edetate

HCID 84722
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Basic information

CAS
14947-78-5
Standard SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Ho+3]
InChIKey
JSBCKPJZIYMAPF-UHFFFAOYSA-J
Molecular formula
C10H12HoN2O8-
Average molar mass
453.14 g/mol
Monoisotopic mass
452.989694

Names & identifiers

Preferred name
Holmium edetate
IUPAC
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;holmium(3+)

Names & synonyms

Holmium edetate14947-78-5RefChem:1086701

Database identifiers

CAS
14947-78-5
PubChem CID
84722

Properties

Computed structural properties

Topological polar surface area
167 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
21
Formal charge
-1
Complexity
293

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