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12289-46-2 | Ferrocene, 1,1'-bis(1-hydroxyethyl)-
CAS No: 12289-46-2 Catalog No: AG000JQ2 MDL No:
Product Description
Catalog Number:
AG000JQ2
Chemical Name:
Ferrocene, 1,1'-bis(1-hydroxyethyl)-
CAS Number:
12289-46-2
Molecular Formula:
C14H18FeO2
Molecular Weight:
274.1365
IUPAC Name:
1-cyclopentylethanol;iron
InChI:
InChI=1S/2C7H9O.Fe/c2*1-6(8)7-4-2-3-5-7;/h2*2-6,8H,1H3;
InChI Key:
WRODBMBXTXGKEU-UHFFFAOYSA-N
SMILES:
CC([C-]1C=CC=C1)O.CC([C-]1C=CC=C1)O.[Fe+2]
Properties
Complexity:
64.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.141g/mol
Monoisotopic Mass:
274.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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