Back to Search
Carbonic Acid, Ammonium Salt (1:?)
CAS: 10361-29-2 | CH5NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10361-29-2
Molecular Formula:
CH5NO3
Molecular Weight:
79.05499999999999 g/mol
Names and Synonyms:
Carbonic Acid, Ammonium Salt (1:?)
Common Name
E 503
Synonym
Carbonic acid, ammonium salt
Synonym
Carbonic acid, ammonium salt (1:?)
Synonym
Ammonium polycarbonate
Synonym
Identifiers:
SMILES:
N.O=C(O)O
InChI:
InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 79.05499999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 79.02694302 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 92.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.3844000000000001 | RDKit |
| molecular_mass | 79.06 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)O.N None | Legacy Database |
| cas-inchi | InChI=1S/CH2O3.H3N/c2-1(3)4;/h(H2,2,3,4);1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=ATRRKUHOCOJYRX-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Carbonic acid, ammonium salt (1:?) None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.675699999999999 | RDKit |