Home Other Building Blocks 6-methoxy-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

6-methoxy-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

CAS No.:
57857-37-1
Catalog Number:
AG01C32P
Molecular Formula:
C4H5N3O3
Molecular Weight:
143.1008
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Product Description
Catalog Number:
AG01C32P
Chemical Name:
6-methoxy-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
CAS Number:
57857-37-1
Molecular Formula:
C4H5N3O3
Molecular Weight:
143.1008
MDL Number:
MFCD20542929
IUPAC Name:
6-methoxy-2H-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C4H5N3O3/c1-10-3-2(8)5-4(9)7-6-3/h1H3,(H2,5,7,8,9)
InChI Key:
OFIYORALZRISJU-UHFFFAOYSA-N
SMILES:
COc1n[nH]c(=O)[nH]c1=O
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.033g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
143.102g/mol
Monoisotopic Mass:
143.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties