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| CAS No.: | 53512-17-7 |
|---|---|
| Name: | 4-OXO-1H-CINNOLINE-3-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C9H6N2O3 |
| Molecular Weight: | 190.158 |
| Synonyms: | 4-oxo-1H-cinnoline-3-carboxylic acid; |
| Density: | 1.56 g/cm3 |
| Melting Point: | 267-268 °C (decomp) |
| Boiling Point: | 427.6 °C at 760mmHg |
| Flash Point: | 212.4 °C |
| PSA: | 83.31000 |
| LogP: | 1.03360 |
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- 143232-59-1
4-amino-3-cinnolinecarboxylic acid
- 53512-17-7
4-Hydroxy-cinnoline-3-carboxylic acid
| Conditions | Yield |
|---|---|
| 93.2% |
- 64-17-5
ethanol
- 53512-17-7
4-Hydroxy-cinnoline-3-carboxylic acid
- 37967-71-8
4-oxo-1,4-dihydro-cinnoline-3-carboxylic acid ethyl ester
| Conditions | Yield |
|---|---|
| With hydrogenchloride for 5h; | 85% |
- 53512-17-7
4-Hydroxy-cinnoline-3-carboxylic acid
- 875-66-1
cinnolin-4-ol
| Conditions | Yield |
|---|---|
| at 200℃; for 0.25h; | 81.2% |
- 100-39-0
benzyl bromide
- 53512-17-7
4-Hydroxy-cinnoline-3-carboxylic acid
A
- 5155-71-5
2-benzyl-4-oxo-1,4-dihydro-cinnolinium betaine
| Conditions | Yield |
|---|---|
| With sodium hydroxide for 2h; | A 31.6% B 52.3% |
- 53512-17-7
4-Hydroxy-cinnoline-3-carboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 85 percent / HCl / 5 h 2: 87.6 percent / K2CO3 / 10 h / Heating 3: 78.6 percent / 1 M NaOH / ethanol / 1 h / Heating View Scheme |
- 53512-17-7
4-Hydroxy-cinnoline-3-carboxylic acid
- 213386-52-8
ethyl 1-benzyl-4-oxo-1,4-dihydrocinnoline-3-carboxylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 85 percent / HCl / 5 h 2: 87.6 percent / K2CO3 / 10 h / Heating View Scheme |
- 4597-87-9
2-(N-methylamino)pyridine
- 541-41-3
chloroformic acid ethyl ester
- 53512-17-7
4-Hydroxy-cinnoline-3-carboxylic acid
| Conditions | Yield |
|---|---|
| triethylamine In dichloromethane; ethyl acetate |
- 462-08-8
pyridin-3-ylamine
- 625-24-1
2,2,2-trichloroethyl acetate
- 53512-17-7
4-Hydroxy-cinnoline-3-carboxylic acid
- 117484-20-5
4-hydroxy-N-(pyridin-3-yl)-cinnoline-3-carboxamide
| Conditions | Yield |
|---|---|
| With thionyl chloride In 1,1-dichloroethane |
- Total:38 Page 1 of 1 1
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Specification
The 4-Hydroxycinnoline-3-carboxylic acid, with the CAS registry number 53512-17-7, has the IUPAC name 4-oxo-1H-cinnoline-3-carboxylic acid. Its molecular formula is C9H6N2O3 and its molecular weight is 190.16.
Other characteristics of the 4-Hydroxycinnoline-3-carboxylic acid can be summarised as followings: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 58.97 Å2; (11)Index of Refraction: 1.71; (12)Molar Refractivity: 47.58 cm3; (13)Molar Volume: 121.7 cm3; (14)Polarizability: 18.86×10-24cm3; (15)Surface Tension: 67.4 dyne/cm; (16)Density: 1.56 g/cm3; (17)Flash Point: 212.4 °C; (18)Enthalpy of Vaporization: 71.96 kJ/mol; (19)Boiling Point: 427.6 °C at 760 mmHg; (20)Vapour Pressure: 4.5E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C\2c1c(cccc1)N/N=C/2C(=O)O
2.InChI: InChI=1/C9H6N2O3/c12-8-5-3-1-2-4-6(5)10-11-7(8)9(13)14/h1-4H,(H,10,12)(H,13,14)
3.InChIKey: ZIPLRYYWAXPVMG-UHFFFAOYAU