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Molecule
Indazolinone
CAS: 7364-25-2 · C7H6N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7364-25-2
- Molecular Formula
- C7H6N2O
- Molecular Mass
- 134.14 g/mol
Identifiers
CAS Registry Number
7364-25-2
SMILES
Oc1n[nH]c2ccccc12
InChI Key
SWEICGMKXPNXNU-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10)
Names and Synonyms
- Indazolinone Synonym
- 3H-Indazol-3-one, 1,2-dihydro- Synonym
- 3-Indazolinone Synonym
- 1,2-Dihydro-3H-indazol-3-one Synonym
- 1H-Indazol-3-ol Synonym
- 3-Hydroxy-1H-indazole Synonym
- Indazolinone Synonym
- 3-Indazolone Synonym
- 2,3-Dihydro-1H-indazol-3-one Synonym
- NSC 9352 Synonym
- 1,2-Dihydroindazol-3-one Synonym
- 1H-Indazol-3(2H)-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.14 g/mol | CAS Common Chemistry |
| 134.13799999999998 g/mol | RDKit | |
| 134.138 g/mol | RDKit | |
| 135.146 g/mol | chempirical lib | |
| 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 |
| 48.91 Ų | RDKit | |
| 44.59 Ų | chempirical lib | |
| LogP | 1.2684999999999997 | RDKit |
| 1.2685 | RDKit | |
| Molar Refractivity | 37.75850000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 134.048012812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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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.
External Resources
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MW = 134.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H6N2O.
