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132774-37-9 | 2,4(1H,3H)-Pyrimidinedione, 1-(ethoxymethyl)-5-methyl-
CAS No: 132774-37-9 Catalog No: AG001155 MDL No:MFCD21234690
Product Description
Catalog Number:
AG001155
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-(ethoxymethyl)-5-methyl-
CAS Number:
132774-37-9
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
MDL Number:
MFCD21234690
IUPAC Name:
1-(ethoxymethyl)-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C8H12N2O3/c1-3-13-5-10-4-6(2)7(11)9-8(10)12/h4H,3,5H2,1-2H3,(H,9,11,12)
InChI Key:
AIYBTJYJDFCUSZ-UHFFFAOYSA-N
SMILES:
Cc1cn(COCC)c(=O)[nH]c1=O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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