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15104-99-1 | Zirconium, bis(2-ethylhexanoato-κO)oxo-
CAS No: 15104-99-1 Catalog No: AG001N27 MDL No:
Product Description
Catalog Number:
AG001N27
Chemical Name:
Zirconium, bis(2-ethylhexanoato-κO)oxo-
CAS Number:
15104-99-1
Molecular Formula:
C11H17N3O5
Molecular Weight:
271.2698
IUPAC Name:
2-ethylhexanoate;oxozirconium(2+)
InChI:
InChI=1S/2C8H16O2.O.Zr/c2*1-3-5-6-7(4-2)8(9)10;;/h2*7H,3-6H2,1-2H3,(H,9,10);;/q;;;+2/p-2
InChI Key:
BBUGYUVNELFWJF-UHFFFAOYSA-L
SMILES:
[O-][N+](=O)O.CC[C@@H]1C(=O)OCC1Cc1cncn1C
EC Number:
239-157-7
Properties
Complexity:
95.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.635g/mol
Monoisotopic Mass:
392.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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