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206564-87-6 | Hexanoic acid, 2-ethyl-, niobium salt (1:?)
CAS No: 206564-87-6 Catalog No: AG002ILB MDL No:
Product Description
Catalog Number:
AG002ILB
Chemical Name:
Hexanoic acid, 2-ethyl-, niobium salt (1:?)
CAS Number:
206564-87-6
Molecular Formula:
C8H15NbO2
Molecular Weight:
236.1099
IUPAC Name:
2-ethylhexanoic acid;niobium
InChI:
InChI=1S/4C8H16O2.Nb/c4*1-3-5-6-7(4-2)8(9)10;/h4*7H,3-6H2,1-2H3,(H,9,10);
InChI Key:
UQVBETMUZQGNJC-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)[O-])CC.[Nb+]
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
669.366g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
669.762g/mol
Monoisotopic Mass:
669.366g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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