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89073-81-4 | 2,4(1H,3H)-Pyrimidinedione, 5-(acetyloxy)-6-ethyldihydro-, cis-
CAS No: 89073-81-4 Catalog No: AG0040AF MDL No:
Product Description
Catalog Number:
AG0040AF
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-(acetyloxy)-6-ethyldihydro-, cis-
CAS Number:
89073-81-4
Molecular Formula:
C8H12N2O4
Molecular Weight:
200.1919
IUPAC Name:
[(4R,5S)-4-ethyl-2,6-dioxo-1,3-diazinan-5-yl] acetate
InChI:
InChI=1S/C8H12N2O4/c1-3-5-6(14-4(2)11)7(12)10-8(13)9-5/h5-6H,3H2,1-2H3,(H2,9,10,12,13)/t5-,6+/m1/s1
InChI Key:
MPHJMLJYDGLEMC-RITPCOANSA-N
SMILES:
CC[C@H]1NC(=O)NC(=O)[C@H]1OC(=O)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
200.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.194g/mol
Monoisotopic Mass:
200.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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