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154932-58-8 | 2,4(1H,3H)-Pyrimidinedione, 1-hexyl-5-methyl-
CAS No: 154932-58-8 Catalog No: AG001NHB MDL No:
Product Description
Catalog Number:
AG001NHB
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-hexyl-5-methyl-
CAS Number:
154932-58-8
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
IUPAC Name:
1-hexyl-5-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C11H18N2O2/c1-3-4-5-6-7-13-8-9(2)10(14)12-11(13)15/h8H,3-7H2,1-2H3,(H,12,14,15)
InChI Key:
ITGOOCHIQVRCBG-UHFFFAOYSA-N
SMILES:
Cc1cn(CCCCCC)c(=O)[nH]c1=O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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