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1271-71-2 | Ferrocene-1,1-dicarboxylic acid mono methyl ester
CAS No: 1271-71-2 Catalog No: AG01F8Z9 MDL No:
Product Description
Catalog Number:
AG01F8Z9
Chemical Name:
Ferrocene-1,1-dicarboxylic acid mono methyl ester
CAS Number:
1271-71-2
Molecular Formula:
C13H12FeO4
Molecular Weight:
288.0770
IUPAC Name:
cyclopentanecarboxylic acid;iron;methyl cyclopentanecarboxylate
InChI:
InChI=1S/C7H7O2.C6H5O2.Fe/c1-9-7(8)6-4-2-3-5-6;7-6(8)5-3-1-2-4-5;/h2-5H,1H3;1-4H,(H,7,8);
InChI Key:
WODCPZYAOAJWPK-UHFFFAOYSA-N
SMILES:
OC(=O)[C]1[CH][CH][CH][CH]1.COC(=O)[C]1[CH][CH][CH][CH]1.[Fe]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.08g/mol
Monoisotopic Mass:
288.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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