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13318-61-1 | 2,4(1H,3H)-Pyrimidinedione, 6-pentyl-
CAS No: 13318-61-1 Catalog No: AG0014DN MDL No:
Product Description
Catalog Number:
AG0014DN
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-pentyl-
CAS Number:
13318-61-1
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
6-pentyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C9H14N2O2/c1-2-3-4-5-7-6-8(12)11-9(13)10-7/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChI Key:
CPIVDBMTUAMXRD-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.106g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.223g/mol
Monoisotopic Mass:
182.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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