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Cas Database |
| Name |
1,2-Indolizinedicarboxylicacid, 1,2-diethyl ester |
EINECS | N/A |
| CAS No. | 14174-98-2 | Density | 1.2 g/cm3 |
| PSA | 57.01000 | LogP | 2.29270 |
| Solubility | N/A | Melting Point |
84-86°C |
| Formula | C14H15NO4 | Boiling Point | N/A |
| Molecular Weight | 261.277 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,2-Indolizinedicarboxylicacid, diethyl ester (7CI,8CI,9CI);Diethyl indolizine-1,2-dicarboxylate;NSC382379; |
Article Data | 4 |
1,2-Indolizinedicarboxylicacid, 1,2-diethyl ester Specification
This chemical is called 1,2-Indolizinedicarboxylicacid, 1,2-diethyl ester, and its IUPAC name is diethyl indolizine-1,2-dicarboxylate. With the molecular formula of C14H15NO4 , its molecular weight is 261.27. The CAS registry number of this chemical is 14174-98-2.
Other characteristics of the 1,2-Indolizinedicarboxylicacid, 1,2-diethyl ester can be summarised as followings: (1)ACD/LogP: 2.97; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 57.01 Å2; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 70.03 cm3; (9)Molar Volume: 217.6 cm3; (10)Polarizability: 27.76×10-24cm3; (11)Surface Tension: 42 dyne/cm; (12)Density: 1.2 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c2c1ccccn1cc2C(=O)OCC
2.InChI: InChI=1/C14H15NO4/c1-3-18-13(16)10-9-15-8-6-5-7-11(15)12(10)14(17)19-4-2/h5-9H,3-4H2,1-2H3
3.InChIKey: JTTAWMDQYRFFTR-UHFFFAOYAW
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