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831220-23-6 | 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-5-(1-ethyl-1-propenyl)dihydro-
CAS No: 831220-23-6 Catalog No: AG0051JB MDL No:
Product Description
Catalog Number:
AG0051JB
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-ethyl-5-(1-ethyl-1-propenyl)dihydro-
CAS Number:
831220-23-6
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
IUPAC Name:
5-ethyl-5-pent-2-en-3-yl-1,3-diazinane-2,4-dione
InChI:
InChI=1S/C11H18N2O2/c1-4-8(5-2)11(6-3)7-12-10(15)13-9(11)14/h4H,5-7H2,1-3H3,(H2,12,13,14,15)
InChI Key:
MIXFDBOKUFMTAT-UHFFFAOYSA-N
SMILES:
CCC(=CC)C1(CC)CNC(=O)NC1=O
Properties
Complexity:
310
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:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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