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Sodium Nitroprusside Dihydrate
CAS: 13755-38-9 | C5H4FeN6Na2O3
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
13755-38-9
Molecular Formula:
C5H4FeN6Na2O3
Molecular Mass:
297.95 g/mol
Names and Synonyms:
Sodium Nitroprusside Dihydrate
Ferrate(2-), pentakis(cyano-κC)nitrosyl-, sodium, hydrate (1:2:2), (OC-6-22)-
Ferrate(2-), pentacyanonitrosyl-, disodium, dihydrate
Ferrate(2-), pentakis(cyano-C)nitrosyl-, disodium, dihydrate, (OC-6-22)-
Sodium nitroprusside dihydrate
Disodium nitroprusside dihydrate
Disodium pentacyanonitrosylferrate(2-) dihydrate
SNP
Identifiers:
SMILES:
N#[O+].O.O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Na+].[Na+]
InChI:
InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+2;3*+1;;
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 |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 297.95 g/mol | CAS Common Chemistry |
| 297.951 g/mol | RDKit | |
| 297.948964048 g/mol | RDKit | |
| Canonical SMILES | [Na+].N#[C-][Fe+2]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[N]#[O+].O | CAS Common Chemistry |
| InChI | InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+2;3*+1;; | CAS Common Chemistry |
| InChI Key | InChIKey=SPBWMYPZWNFWES-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium nitroprusside dihydrate | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 225.63999999999996 Ų | RDKit |
| LogP | -7.265769999999998 | RDKit |
| Molar Refractivity | 34.4791 | RDKit |
