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CAS No.: | 132666-67-2 |
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Name: | 2-(R)-CARBOETHOXY-4-(R)-HYDROXYPYRROLIDINE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C7H13NO3 |
Molecular Weight: | 159.185 |
Synonyms: | D-Proline,4-hydroxy-, ethyl ester, cis-;(2R,4R)-4-Hydroxypyrrolidine-2-carboxylic acidethyl ester; |
Density: | 1.171g/cm3 |
Boiling Point: | 262.3 °C at 760 mmHg |
Flash Point: | 112.4 °C |
PSA: | 58.56000 |
LogP: | -0.39890 |
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The D-Proline, 4-hydroxy-,ethyl ester, (4R)-, with CAS registry number 132666-67-2, belongs to the following product categories: (1)Pyrrole; (2)Carboxylicester; (3)Chiral; (4)Miscellaneous. It has the systematic name of ethyl 4-hydroxyprolinate. And the chemical formula of this chemical is C7H13NO3.
Physical properties of D-Proline, 4-hydroxy-,ethyl ester, (4R)-: (1)ACD/LogP: -0.85; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 38.77 Å2; (7)Index of Refraction: 1.485; (8)Molar Refractivity: 38.96 cm3; (9)Molar Volume: 135.8 cm3; (10)Polarizability: 15.44×10-24cm3; (11)Surface Tension: 42.7 dyne/cm; (12)Density: 1.171 g/cm3; (13)Flash Point: 112.4 °C; (14)Enthalpy of Vaporization: 58.07 kJ/mol; (15)Boiling Point: 262.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00157 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1NCC(O)C1
(2)InChI: InChI=1/C7H13NO3/c1-2-11-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3
(3)InChIKey: JMHQESARJMGVCZ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H13NO3/c1-2-11-7(10)6-3-5(9)4-8-6/h5-6,8-9H,2-4H2,1H3
(5)Std. InChIKey: JMHQESARJMGVCZ-UHFFFAOYSA-N