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2757-85-9 | 2,4,5,6(1H,3H)-Pyrimidinetetrone, 1,3-dimethyl-
CAS No: 2757-85-9 Catalog No: AG002U3T MDL No:
Product Description
Catalog Number:
AG002U3T
Chemical Name:
2,4,5,6(1H,3H)-Pyrimidinetetrone, 1,3-dimethyl-
CAS Number:
2757-85-9
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
IUPAC Name:
1,3-dimethyl-1,3-diazinane-2,4,5,6-tetrone
InChI:
InChI=1S/C6H6N2O4/c1-7-4(10)3(9)5(11)8(2)6(7)12/h1-2H3
InChI Key:
KUCNNTLJQCDKEI-UHFFFAOYSA-N
SMILES:
CN1C(=O)N(C)C(=O)C(=O)C1=O
EC Number:
220-417-3
NSC Number:
7371
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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