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89216-26-2 | 1-Piperidinecarboxaldehyde, 2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)-
CAS No: 89216-26-2 Catalog No: AG0043QH MDL No:
Product Description
Catalog Number:
AG0043QH
Chemical Name:
1-Piperidinecarboxaldehyde, 2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)-
CAS Number:
89216-26-2
Molecular Formula:
C10H13N3O4
Molecular Weight:
239.2279
IUPAC Name:
2-(2,4,6-trioxo-1,3-diazinan-5-yl)piperidine-1-carbaldehyde
InChI:
InChI=1S/C10H13N3O4/c14-5-13-4-2-1-3-6(13)7-8(15)11-10(17)12-9(7)16/h5-7H,1-4H2,(H2,11,12,15,16,17)
InChI Key:
WIEFZGDZJVBBEA-UHFFFAOYSA-N
SMILES:
O=CN1CCCCC1C1C(=O)NC(=O)NC1=O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.231g/mol
Monoisotopic Mass:
239.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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