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100051-56-7 | 2,4(1H,3H)-Pyrimidinedione, 5-butyl-6-propyl-
CAS No: 100051-56-7 Catalog No: AG0000O8 MDL No:
Product Description
Catalog Number:
AG0000O8
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-butyl-6-propyl-
CAS Number:
100051-56-7
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
IUPAC Name:
5-butyl-6-propyl-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C11H18N2O2/c1-3-5-7-8-9(6-4-2)12-11(15)13-10(8)14/h3-7H2,1-2H3,(H2,12,13,14,15)
InChI Key:
HEMAUQZFKUQMBB-UHFFFAOYSA-N
SMILES:
CCCCc1c(CCC)[nH]c(=O)[nH]c1=O
Properties
Complexity:
295
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:
2
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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