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CAS No.: | 60807-25-2 |
---|---|
Name: | 4-Methoxy-1-methoxycarbonyl-beta-carboline |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C14H12N2O3 |
Molecular Weight: | 256.256680 |
Synonyms: | W1176; |
Density: | 1.34 g/cm3 |
Boiling Point: | 509.1 °C at 760 mmHg |
Flash Point: | 261.7 °C |
PSA: | 64.21000 |
LogP: | 2.51130 |
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The 4-Methoxy-1-methoxycarbonyl-beta-carboline, with the CAS registry number 60807-25-2, has the IUPAC name methyl 4-methoxy-9H-β-carboline-1-carboxylate. Its molecular formula is C14H12N2O3 and its molecular weight is 256.256680 .
Other characteristics of the 4-Methoxy-1-methoxycarbonyl-beta-carboline can be summarised as followings: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 53.35 Å2; (7)Index of Refraction: 1.688; (8)Molar Refractivity: 72.91 cm3; (9)Molar Volume: 191.1 cm3; (10)Polarizability: 28.9×10-24cm3; (11)Surface Tension: 59.2 dyne/cm; (12)Density: 1.34 g/cm3; (13)Flash Point: 261.7 °C; (14)Enthalpy of Vaporization: 77.96 kJ/mol; (15)Boiling Point: 509.1 °C at 760 mmHg; (16)Vapour Pressure: 1.74E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c3ncc(OC)c2c1c(cccc1)nc23
2.InChI: InChI=1/C14H12N2O3/c1-18-10-7-15-13(14(17)19-2)12-11(10)8-5-3-4-6-9(8)16-12/h3-7,16H,1-2H3
3.InChIKey: WNNUGSXDGKSRRG-UHFFFAOYAV