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123319-30-2
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Basic Information
CAS No.: 123319-30-2
Name: 8-(ETHOXYCARBONYL)-2-METHYL-1-OXA-8-AZASPIRO[4,5]-DECAN-3-ONE
Article Data: 3
Molecular Structure:
Molecular Structure of 123319-30-2 (8-(ETHOXYCARBONYL)-2-METHYL-1-OXA-8-AZASPIRO[4,5]-DECAN-3-ONE)
Formula: C12H19NO4
Molecular Weight: 241.287
Synonyms: 8-(Ethoxycarbonyl)-2-methyl-1-oxa-8-azaspiro[4,5]-decan-3-one;2-Methyl-3-oxo-1-oxa-8-aza-spiro[4.5]decane-8-carboxylic acid ethyl ester;
Density: 1.18 g/cm3
Boiling Point: 368.7 °C at 760 mmHg
Flash Point: 176.8 °C
PSA: 55.84000
LogP: 1.29330
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Specification

The 1-Oxa-8-azaspiro[4.5]decane-8-carboxylicacid, 2-methyl-3-oxo-, ethyl ester, with the CAS registry number 123319-30-2, is also known as 8-(Ethoxycarbonyl)-2-methyl-1-oxa-8-azaspiro[4,5]-decan-3-one. It belongs to the product category of pharmacetical. This chemical's molecular formula is C12H19NO4 and molecular weight is 241.28. What's more, its systematic name is ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Physical properties of 1-Oxa-8-azaspiro[4.5]decane-8-carboxylicacid, 2-methyl-3-oxo-, ethyl ester are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1.06; (6)ACD/BCF (pH 7.4): 1.06; (7)ACD/KOC (pH 5.5): 36.28; (8)ACD/KOC (pH 7.4): 36.28; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 61.1 cm3; (15)Molar Volume: 203.5 cm3; (16)Polarizability: 24.22×10-24 cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 176.8 °C; (20)Enthalpy of Vaporization: 61.54 kJ/mol; (21)Boiling Point: 368.7 °C at 760 mmHg; (22)Vapour Pressure: 1.25×10-5 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2C(OC1(CCN(C(=O)OCC)CC1)C2)C
(2)InChI: InChI=1/C12H19NO4/c1-3-16-11(15)13-6-4-12(5-7-13)8-10(14)9(2)17-12/h9H,3-8H2,1-2H3
(3)InChIKey: MJSGPUXKCNLSHS-UHFFFAOYAZ