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394653-40-8

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Basic Information
CAS No.: 394653-40-8
Name: (+/-)-3-oxetanylglycine methyl ester
Article Data: 9
Molecular Structure:
Molecular Structure of 394653-40-8 ((+/-)-3-oxetanylglycine methyl ester)
Formula: C6H11NO3
Molecular Weight: 145.158
Synonyms: Methyl 2-amino-2-(oxetan-3-yl)acetate;
Density: 1.196 g/cm3
Boiling Point: 201.4 °C at 760 mmHg
Flash Point: 79.2 °C
Risk Codes: 36
Safety: 26
PSA: 61.55000
LogP: -0.16660
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Specification

The CAS registry number of 3-Oxetaneacetic acid, a-amino-, methyl ester is 394653-40-8. This chemical's molecular formula is C6H11NO3 and molecular weight is 145.16. What's more, its systematic name is called Methyl 2-amino-2-(oxetan-3-yl)acetate.

Physical properties about 3-Oxetaneacetic acid, a-amino-, methyl ester are: (1)#of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 6.26; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 61.55 Å2; (10)Index of Refraction: 1.482; (11)Molar Refractivity: 34.61 cm3; (12)Molar Volume: 121.2 cm3; (13)Polarizability: 13.72×10-24 cm3; (14)Surface Tension: 43.8 dyne/cm; (15)Density: 1.196 g/cm3; (16)Flash Point: 79.2 °C; (17)Enthalpy of Vaporization: 43.77 kJ/mol; (18)Boiling Point: 201.4 °C at 760 mmHg; (19)Vapour Pressure: 0.308 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)C(C1COC1)N
(2) InChI: InChI=1/C6H11NO3/c1-9-6(8)5(7)4-2-10-3-4/h4-5H,2-3,7H2,1H3
(3) InChIKey: PEBXHAVHVOZWTQ-UHFFFAOYAQ