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21115-47-9

21115-47-9 | 4H-1,3,5-Oxadiazin-4-one, tetrahydro-3-(methoxymethyl)-5-methyl-

CAS No: 21115-47-9 Catalog No: AG002L78 MDL No:

Product Description

Catalog Number:
AG002L78
Chemical Name:
4H-1,3,5-Oxadiazin-4-one, tetrahydro-3-(methoxymethyl)-5-methyl-
CAS Number:
21115-47-9
Molecular Formula:
C6H12N2O3
Molecular Weight:
160.1711
IUPAC Name:
3-(methoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one
InChI:
InChI=1S/C6H12N2O3/c1-7-3-11-5-8(4-10-2)6(7)9/h3-5H2,1-2H3
InChI Key:
MOSWOCYONRPTOY-UHFFFAOYSA-N
SMILES:
COCN1COCN(C1=O)C
NSC Number:
639709

Properties

Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.085g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.173g/mol
Monoisotopic Mass:
160.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

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