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3348-22-9

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Basic Information
CAS No.: 3348-22-9
Name: 4-chloro-6-methoxy-2-methyl-3-propylquinoline
Molecular Structure:
Molecular Structure of 3348-22-9 (4-chloro-6-methoxy-2-methyl-3-propylquinoline)
Formula: C5H9NO3
Molecular Weight: 131.1299
Synonyms: D-proline, 4-hydroxy-, (4S)-;
Density: 1.395 g/cm3
Melting Point: 275℃
Boiling Point: 355.2 °C at 760 mmHg
Flash Point: 168.6 °C
PSA: 22.12000
LogP: 4.15770
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Specification

The trans-4-Hydroxy-D-prolinehydrochloride, with the CAS registry number of 3348-22-9, is also known as D-proline, 4-hydroxy-, (4S)-. Its molecular formula is C5H9NO3 and molecular weight is 131.1299. What's more, its systematic name is (4S)-4-Hydroxy-D-proline.

Physical properties about the (4S)-4-Hydroxy-D-proline are: (1)ACD/LogP: -1.84; (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: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.77 Å2; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 29.49 cm3; (13)Molar Volume: 93.9 cm3; (14)Surface Tension: 62.2 dyne/cm; (15)Density: 1.395 g/cm3; (16)Flash Point: 168.6 °C; (17)Enthalpy of Vaporization: 69.51 kJ/mol; (18)Boiling Point: 355.2 °C at 760 mmHg; (19)Vapour Pressure: 1.8E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H]1NC[C@@H](O)C1
(2) InChI: InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1
(3) InChIKey: PMMYEEVYMWASQN-IUYQGCFVBJ