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831220-22-5 | 2,4(1H,3H)-Pyrimidinedione, 5-(1-ethyl-1-propenyl)dihydro-5-propyl-
CAS No: 831220-22-5 Catalog No: AG005A8R MDL No:
Product Description
Catalog Number:
AG005A8R
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-(1-ethyl-1-propenyl)dihydro-5-propyl-
CAS Number:
831220-22-5
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
IUPAC Name:
5-pent-2-en-3-yl-5-propyl-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C12H20N2O2/c1-4-7-12(9(5-2)6-3)8-13-11(16)14-10(12)15/h5H,4,6-8H2,1-3H3,(H2,13,14,15,16)
InChI Key:
ZZCRRJHYQFPCOX-UHFFFAOYSA-N
SMILES:
CCCC1(CNC(=O)NC1=O)C(=CC)CC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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