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14842-41-2 | 1H,5H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-3,5,8,10(2H,5aH,10aH)-tetrone, dihydro-, (5aS,10aS)-
CAS No: 14842-41-2 Catalog No: AG001KXE MDL No:MFCD00912114
Product Description
Catalog Number:
AG001KXE
Chemical Name:
1H,5H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-3,5,8,10(2H,5aH,10aH)-tetrone, dihydro-, (5aS,10aS)-
CAS Number:
14842-41-2
Molecular Formula:
C10H10N2O4
Molecular Weight:
222.1974
MDL Number:
MFCD00912114
IUPAC Name:
(3S,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,6,8,12-tetrone
InChI:
InChI=1S/C10H10N2O4/c13-7-3-1-5-9(15)12-6(2-4-8(12)14)10(16)11(5)7/h5-6H,1-4H2/t5-,6-/m0/s1
InChI Key:
TXFYQWADOFKHHB-WDSKDSINSA-N
SMILES:
O=C1[C@@H]2CCC(=O)N2C(=O)[C@H]2N1C(=O)CC2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
222.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.2g/mol
Monoisotopic Mass:
222.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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