Back to Search
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 Weight:
134.13799999999998 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)
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 | 134.14 g/mol | Legacy Database |
cas-canonical-smile | O=C1NNC=2C=CC=CC12 None | Legacy Database |
cas-inchi | InChI=1S/C7H6N2O/c10-7-5-3-1-2-4-6(5)8-9-7/h1-4H,(H2,8,9,10) None | Legacy Database |
cas-inchi-key | InChIKey=SWEICGMKXPNXNU-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 246-249 °C None | Legacy Database |
cas-name | Indazolinone None | Legacy Database |
LogP | 1.2684999999999997 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 134.13799999999998 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 134.048012812 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 10 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 0 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 2 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 48.910000000000004 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 37.75850000000001 | RDKit |