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831220-15-6 | 2,4(1H,3H)-Pyrimidinedione, 5-ethyldihydro-5-(1-propyl-1-butenyl)-
CAS No: 831220-15-6 Catalog No: AG004WAY MDL No:
Product Description
Catalog Number:
AG004WAY
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-ethyldihydro-5-(1-propyl-1-butenyl)-
CAS Number:
831220-15-6
Molecular Formula:
C13H22N2O2
Molecular Weight:
238.3260
IUPAC Name:
5-ethyl-5-hept-3-en-4-yl-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C13H22N2O2/c1-4-7-10(8-5-2)13(6-3)9-14-12(17)15-11(13)16/h7H,4-6,8-9H2,1-3H3,(H2,14,15,16,17)
InChI Key:
YOACHUUMVPCKNT-UHFFFAOYSA-N
SMILES:
CCCC(=CCC)C1(CC)CNC(=O)NC1=O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.168g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.331g/mol
Monoisotopic Mass:
238.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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