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Iron(Ii) Lactate
CAS: 5905-52-2 | C3H6FeO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5905-52-2
Molecular Formula:
C3H6FeO3
Molecular Weight:
145.923 g/mol
Names and Synonyms:
Iron(Ii) Lactate
Propanoic acid, 2-hydroxy-, iron(2+) salt (2:1)
Lactic acid, iron(2+) salt (2:1)
Identifiers:
SMILES:
CC(O)C(=O)O.[Fe]
InChI:
InChI=1S/C3H6O3.Fe/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 145.92 g/mol | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Iron(II)_lactate None | Legacy Database |
cas-canonical-smile | [Fe].O=C(O)C(O)C None | Legacy Database |
cas-inchi | InChI=1S/C3H6O3.Fe/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6); None | Legacy Database |
cas-inchi-key | InChIKey=UUGUGLBRYMQUHN-UHFFFAOYSA-N None | Legacy Database |
cas-name | Propanoic acid, 2-hydroxy-, iron(2+) salt (2:1) None | Legacy Database |
wikipedia-name | Iron(II) lactate None | Legacy Database |
LogP | -0.5507 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 145.923 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 145.966631552 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 7 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 57.53 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 19.3166 | RDKit |