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Innoxalomn
CAS: 389-08-2 | C12H12N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
389-08-2
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.23899999999998 g/mol
Names and Synonyms:
Innoxalomn
Eucistin
Poleon
NSC 82174
Uralgin
Uroneg
Urodixin
Dixiben
Uriben
Cybis
Narigix
Uropan
Uroman
Nalidram
Nalidixic Acid
1,8-Naphthyridine-3-carboxylic acid, 1-ethyl-1,4-dihydro-7-methyl-4-oxo-
1-Ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Win 18320
3-Carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one
1,4-Dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
1-Ethyl-7-methyl-1,8-naphthyridin-4-one-3-carboxylic acid
1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Nalidic acid
Nalidixic acid
Nalidixin
Urisal
Wintomylon
NegGram
Nogram
Nevigramon
Nalidixan
Nalidixinic acid
Nalix
Nalurin
Naxuril
Nacid
Nelidix
Specifin
Nalidicron
Betaxina
Nalitucsan
Uriclar
Nicelate
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
Identifiers:
SMILES:
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
InChI:
InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 232.24 g/mol | Legacy Database |
| cas-canonical-smile | O=C(O)C1=CN(C2=NC(=CC=C2C1=O)C)CC None | Legacy Database |
| cas-inchi | InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17) None | Legacy Database |
| cas-inchi-key | InChIKey=MHWLWQUZZRMNGJ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 229-230 °C None | Legacy Database |
| cas-name | Nalidixic acid None | Legacy Database |
| LogP | 1.4230200000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 232.23899999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 232.084792244 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 72.19 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 63.37330000000001 | RDKit |
