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51440-82-5

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Basic Information
CAS No.: 51440-82-5
Name: 4-Methyl-1,3-oxazine-2,6-dione
Molecular Structure:
Molecular Structure of 51440-82-5 (4-Methyl-1,3-oxazine-2,6-dione)
Formula: C5H5NO3
Molecular Weight: 127.0981
Synonyms: 2H-1,3-Oxazine-2,6(3H)-dione, 4-methyl-;
Density: 1.299 g/cm3
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Specification

The 4-Methyl-1,3-oxazine-2,6-dione, with the CAS registry number of 51440-82-5, is also known as 2H-1,3-Oxazine-2,6(3H)-dione, 4-methyl-. Its molecular formula is C5H5NO3 and molecular weight is 127.0981. What's more, its systematic name is 4-Methyl-2H-1,3-oxazine-2,6(3H)-dione.

Physical properties about the 4-Methyl-1,3-oxazine-2,6-dione are: (1)ACD/LogP: 0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.87; (8)ACD/KOC (pH 7.4): 4.53; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 27.96 cm3; (15)Molar Volume: 97.8 cm3; (16)Surface Tension: 38.3 dyne/cm; (17)Density: 1.299 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1OC(=O)N/C(=C/1)C
(2) InChI: InChI=1/C5H5NO3/c1-3-2-4(7)9-5(8)6-3/h2H,1H3,(H,6,8)
(3) InChIKey: OIAKGMHQBFLCTH-UHFFFAOYAJ