3-Isoxazolidinone,4,4-dimethyl- supplier

Name
4，4-dimethyl isoxazolidin-3-one
EINECS
CAS No. 81778-07-6
Article Data9
CAS DataBase
Density 1.039 g/cm³
Solubility
Melting Point
Formula C₅H₉NO₂
Boiling Point
Molecular Weight 115.132
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,4-Dimethylisoxazolidin-3-one;
PSA 38.33000
LogP 0.40280

3-Isoxazolidinone,4,4-dimethyl- Specification

The 3-Isoxazolidinone,4,4-dimethyl-, with the CAS registry number 81778-07-6, is also known as 4,4-Dimethylisoxazolidin-3-one. This chemical's molecular formula is C₅H₉NO₂ and molecular weight is 115.1305. What's more, its systematic name is called 4,4-Dimethyl-1,2-oxazolidin-3-one.

Physical properties about 3-Isoxazolidinone,4,4-dimethyl- are: (1)ACD/LogP: 0.04; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.88; (8)ACD/KOC (pH 7.4): 24.88; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 28.24 cm³; (15)Molar Volume: 110.7 cm³; (16)Polarizability: 11.19×10^-24 cm³; (17)Surface Tension: 26.2 dyne/cm; (18)Density: 1.039 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NOCC1(C)C
(2) InChI: InChI=1/C5H9NO2/c1-5(2)3-8-6-4(5)7/h3H2,1-2H3,(H,6,7)
(3) InChIKey: UUXRXRHXOZHHJV-UHFFFAOYAA

Product Name

4，4-dimethyl isoxazolidin-3-one

3-Isoxazolidinone,4,4-dimethyl- Specification

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