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Indazolinone
CAS: 7364-25-2 | C7H6N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7364-25-2
Molecular Formula:
C7H6N2O
Molecular Mass:
134.14 g/mol
Names and Synonyms:
Indazolinone
3H-Indazol-3-one, 1,2-dihydro-
3-Indazolinone
1,2-Dihydro-3H-indazol-3-one
1H-Indazol-3-ol
3-Hydroxy-1H-indazole
Indazolinone
3-Indazolone
2,3-Dihydro-1H-indazol-3-one
NSC 9352
1,2-Dihydroindazol-3-one
1H-Indazol-3(2H)-one
Identifiers:
SMILES:
Oc1n[nH]c2ccccc12
InChI:
InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)
Key Properties
Melting Point
246-249 °C
CAS Common Chemistry
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 | 134.14 g/mol | CAS Common Chemistry |
| 134.13799999999998 g/mol | RDKit | |
| 134.048012812 g/mol | RDKit | |
| Canonical SMILES | O=C1NNC=2C=CC=CC12 | CAS Common Chemistry |
| InChI | InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=SWEICGMKXPNXNU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 246-249 °C | CAS Common Chemistry |
| Name | Indazolinone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 48.910000000000004 Ų | RDKit |
| LogP | 1.2684999999999997 | RDKit |
| Molar Refractivity | 37.75850000000001 | RDKit |
