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| CAS No.: | 27460-51-1 |
|---|---|
| Name: | AC-PRO-OME |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C12H12N2O3 |
| Molecular Weight: | 171.196 |
| Synonyms: | Proline, 1-acetyl-, methyl ester, L-; |
| Density: | 1.151 g/cm3 |
| Boiling Point: | 281.2 °C at 760 mmHg |
| Flash Point: | 123.9 °C |
| PSA: | 46.61000 |
| LogP: | 0.10820 |
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Specification
The L-Proline, 1-acetyl-,methyl ester, with the CAS registry number of 27460-51-1, is also known as Proline, 1-acetyl-, methyl ester, L-. Its molecular formula is C12H12N2O3 and molecular weight is 232.24. What's more, its systematic name is Methyl 1-acetyl-L-prolinate.
Physical properties about the L-Proline, 1-acetyl-,methyl ester are: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.25; (8)ACD/KOC (pH 7.4): 16.25; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 42.16 cm3; (15)Molar Volume: 148.6 cm3; (16)Surface Tension: 40.8 dyne/cm; (17)Density: 1.151 g/cm3; (18)Flash Point: 123.9 °C; (19)Enthalpy of Vaporization: 52 kJ/mol; (20)Boiling Point: 281.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00361 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)[C@@H]1CCCN1C(=O)C
(2) InChI: InChI=1/C8H13NO3/c1-6(10)9-5-3-4-7(9)8(11)12-2/h7H,3-5H2,1-2H3/t7-/m0/s1
(3) InChIKey: WCIXKWOJEMZXMK-ZETCQYMHBB