chempirical

1,1'-Ferrocenedicarboxylic acid

C12H10FeO4CAS 1293-87-4274.05 g/mol

Open in Covalent MOL file
OHOHC−OHOHC−Fe2+
Carboxylic acid

Properties

Molecular formula
C12H10FeO4
Molar mass
274.05 g/mol
Exact mass
273.9928 Da
Melting point
above 300 °C (decomposes)
logP
2.20Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
1293-87-4
SMILES
O=C(O)c1ccc[cH-]1.O=C(O)c1ccc[cH-]1.[Fe+2]
InChIKey
LDSUEKXPKCHROT-UHFFFAOYSA-N
InChI
InChI=1S/2C6H5O2.Fe/c2*7-6(8)5-3-1-2-4-5;/h2*1-4H,(H,7,8);/q2*-1;+2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Ferrocene, 1,1′-dicarboxy-
  • 1,1′-Ferrocenedicarboxylic acid
  • Cyclopentadienecarboxylic acid, iron deriv.
  • Cyclopentadienecarboxylic acid, Fe deriv.
  • 1,1′-Dicarboxyferrocene
  • 1,1′-Biscarboxylferrocene
  • 1,1′-Bis(carboxy)ferrocene
  • Ferrocenedicarboxylic acid

Work with 1,1'-Ferrocenedicarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ferrocenecarboxylic acid1271-42-786 % similar Ferroceneacetic acid1287-16-743 % similar Phthalic acid88-99-340 % similar Benzoic acid65-85-039 % similar Terephthalic acid100-21-038 % similar Isophthalic acid121-91-538 % similar 1,1′-Dimethylferrocene1291-47-038 % similar Dipicolinic acid499-83-236 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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