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42604-63-7 | 1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde
CAS No: 42604-63-7 Catalog No: AG0071SM MDL No:MFCD00219571
Product Description
Catalog Number:
AG0071SM
Chemical Name:
1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde
CAS Number:
42604-63-7
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD00219571
IUPAC Name:
1,3-dimethyl-2,4,6-trioxo-1,3-diazinane-5-carbaldehyde
InChI:
InChI=1S/C7H8N2O4/c1-8-5(11)4(3-10)6(12)9(2)7(8)13/h3-4H,1-2H3
InChI Key:
NADASDWWUUDZFH-UHFFFAOYSA-N
SMILES:
O=CC1C(=O)N(C)C(=O)N(C1=O)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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