CAS No.13590-42-6,benzyl (S)-2,5-dioxooxazolidine-4-acetate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13590-42-6
Name:	benzyl (S)-2,5-dioxooxazolidine-4-acetate
Article Data:	44

Formula:	C₁₂H₁₁NO₅
Molecular Weight:	249.223
Synonyms:	Benzyl (S)-2,5-dioxooxazolidine-4-acetate;
EINECS:	237-026-9
Density:	1.332 g/cm³
Melting Point:	120-122 °C
PSA:	81.70000
LogP:	1.08370

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Specification

The 4-Oxazolidineaceticacid, 2,5-dioxo-, phenylmethyl ester, (4S)-, with the CAS registry number of 13590-42-6, is also known as Benzyl (S)-2,5-dioxooxazolidine-4-acetate. Its EINECS registry number is 237-026-9. This chemical's molecular formula is C₁₂H₁₁NO₅ and molecular weight is 249.21944. What's more, its systematic name is Benzyl [(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]acetate.

Physical properties about the 4-Oxazolidineaceticacid, 2,5-dioxo-, phenylmethyl ester, (4S)- are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 106; (8)ACD/KOC (pH 7.4): 99; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 81.7 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 59.271 cm³; (15)Molar Volume: 187.05 cm³; (16)Surface Tension: 49.822 dyne/cm; (17)Density: 1.332 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)C[C@H]2C(=O)OC(=O)N2
(2) InChI: InChI=1/C12H11NO5/c14-10(6-9-11(15)18-12(16)13-9)17-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)/t9-/m0/s1
(3) InChIKey: QNIPTEJAZIWFHH-VIFPVBQEBP