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873-48-3 | 1-methyl-1,3,5-triazine-2,4(1h,3h)-dione
CAS No: 873-48-3 Catalog No: AG004O2M MDL No:
Product Description
Catalog Number:
AG004O2M
Chemical Name:
1-methyl-1,3,5-triazine-2,4(1h,3h)-dione
CAS Number:
873-48-3
Molecular Formula:
C4H5N3O2
Molecular Weight:
127.1014
IUPAC Name:
1-methyl-1,3,5-triazine-2,4-dione
InChI:
InChI=1S/C4H5N3O2/c1-7-2-5-3(8)6-4(7)9/h2H,1H3,(H,6,8,9)
InChI Key:
NPRMJPOPXSWHBL-UHFFFAOYSA-N
SMILES:
Cn1cnc(=O)[nH]c1=O
NSC Number:
76512
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.103g/mol
Monoisotopic Mass:
127.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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