CAS No.106973-37-9,(3S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	106973-37-9
Name:	(3S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid
Article Data:	8

Formula:	C₁₂H₁₃NO₄
Molecular Weight:	235.24
Synonyms:	3-Morpholinecarboxylicacid, 5-oxo-4-(phenylmethyl)-, (S)-;(3S)-4-Benzyl-5-oxomorpholine-3-carboxylicacid;
Density:	1.339 g/cm³
Boiling Point:	506.8 °C at 760 mmHg
Flash Point:	260.3 °C
PSA:	66.84000
LogP:	0.43650

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Specification

The 3-Morpholinecarboxylicacid, 5-oxo-4-(phenylmethyl)-, (3S)-, with the CAS registry number 106973-37-9, is also known as (S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid. It belongs to the product category of API Intermediates. This chemical's molecular formula is C₁₂H₁₃NO₄ and molecular weight is 235.24. What's more, its systematic name is (3S)-4-Benzyl-5-oxomorpholine-3-carboxylic acid.

Physical properties about 3-Morpholinecarboxylicacid, 5-oxo-4-(phenylmethyl)-, (3S)- are: (1)ACD/LogP: 0.60; (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: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.84 Å²; (11)Index of Refraction: 1.587; (12)Molar Refractivity: 59.02 cm³; (13)Molar Volume: 175.6 cm³; (14)Polarizability: 23.39×10^-24 cm³; (15)Surface Tension: 58.9 dyne/cm; (16)Density: 1.339 g/cm³; (17)Flash Point: 260.3 °C; (18)Enthalpy of Vaporization: 81.8 kJ/mol; (19)Boiling Point: 506.8 °C at 760 mmHg; (20)Vapour Pressure: 4.28E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H]2COCC(=O)N2Cc1ccccc1
(2) InChI: InChI=1/C12H13NO4/c14-11-8-17-7-10(12(15)16)13(11)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,15,16)/t10-/m0/s1
(3) InChIKey: LAHROJZLGLNLBT-JTQLQIEIBM