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69346-26-5 | Isononanoic acid,iron(2+) salt (9CI)
CAS No: 69346-26-5 Catalog No: AG006FUQ MDL No:
Product Description
Catalog Number:
AG006FUQ
Chemical Name:
Isononanoic acid,iron(2+) salt (9CI)
CAS Number:
69346-26-5
Molecular Formula:
C18H34FeO4
Molecular Weight:
370.3052
IUPAC Name:
iron(2+);7-methyloctanoate
InChI:
InChI=1S/2C9H18O2.Fe/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2
InChI Key:
LPSSHJYHZOQGFL-UHFFFAOYSA-L
SMILES:
CC(CCCCCC(=O)[O-])C.CC(CCCCCC(=O)[O-])C.[Fe+2]
EC Number:
273-973-4
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.181g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.311g/mol
Monoisotopic Mass:
370.181g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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