-
Name
ISOXAZOLIDIN-3-ONE
- EINECS
- CAS No. 1192-07-0
- Article Data2
- CAS DataBase
- Density 1.204 g/cm3
- Solubility
- Melting Point
- Formula C3H5NO2
- Boiling Point
- Molecular Weight 87.0782
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,2-Oxazolidin-3-one; 3-isoxazolidinone
- PSA 41.82000
- LogP -0.28620
3-Isoxazolidinone Specification
The CAS registry number of 3-Isoxazolidinone is 1192-07-0. This chemical's molecular formula is C3H5NO2 and molecular weight is 87.0773. What's more, its systematic name is called 1,2-Oxazolidin-3-one.
Physical properties about 3-Isoxazolidinone are: (1)ACD/LogP: -1.00; (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): 6.82; (6)ACD/KOC (pH 7.4): 6.82; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.436; (12)Molar Refractivity: 18.91 cm3; (13)Molar Volume: 72.2 cm3; (14)Polarizability: 7.5×10-24 cm3; (15)Surface Tension: 33.7 dyne/cm; (16)Density: 1.204 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1NOCC1
(2) InChI: InChI=1/C3H5NO2/c5-3-1-2-6-4-3/h1-2H2,(H,4,5)
(3) InChIKey: QXDOFVVNXBGLKK-UHFFFAOYAM
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