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886362-65-8

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Basic Information
CAS No.: 886362-65-8
Name: 1-N-CBZ-PYRROLIDINE-3-ACETIC ACID
Molecular Structure:
Molecular Structure of 886362-65-8 (1-N-CBZ-PYRROLIDINE-3-ACETIC ACID)
Formula: C14H17NO4
Molecular Weight: 263.29
Synonyms: 2-(1-Benzyloxycarbonylpyrrolidin-3-yl)acetic acid;{1-[(Benzyloxy)carbonyl]pyrrolidin-3-yl}acetic acid;3-Carboxymethyl-pyrrolidine-1-carboxylic acid benzyl ester;
Density: 1.252 g/cm3
Boiling Point: 448.4 °C at 760 mmHg
Flash Point: 225 °C
PSA: 66.84000
LogP: 2.05770
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Specification

The 3-Pyrrolidineaceticacid, 1-[(phenylmethoxy)carbonyl]-, with the CAS registry number 886362-65-8, is also known as {1-[(Benzyloxy)carbonyl]pyrrolidin-3-yl}acetic acid. This chemical's molecular formula is C14H17NO4 and molecular weight is 263.29. What's more, its systematic name is 2-(1-benzyloxycarbonylpyrrolidin-3-yl)acetic acid.

Physical properties of 3-Pyrrolidineaceticacid, 1-[(phenylmethoxy)carbonyl]- are: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 66.84 Å2; (7)Index of Refraction: 1.563; (8)Molar Refractivity: 68.34 cm3; (9)Molar Volume: 210.2 cm3; (10)Polarizability: 27.09×10-24cm3; (11)Surface Tension: 52.7 dyne/cm; (12)Density: 1.252 g/cm3; (13)Flash Point: 225 °C; (14)Enthalpy of Vaporization: 74.49 kJ/mol; (15)Boiling Point: 448.4 °C at 760 mmHg; (16)Vapour Pressure: 7.98E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCC(CC(O)=O)C2
(2)Std. InChI: InChI=1S/C14H17NO4/c16-13(17)8-12-6-7-15(9-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
(3)Std. InChIKey: IUYVTLSEDKQGQY-UHFFFAOYSA-N