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Home > Aldehydes > 1566445-82-6
1566445-82-6 | 4-(3,5-DIOXOPIPERAZIN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1566445-82-6 Catalog No: AG01C8P7 MDL No:MFCD26866522
Product Description
Catalog Number:
AG01C8P7
Chemical Name:
4-(3,5-DIOXOPIPERAZIN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1566445-82-6
Molecular Formula:
C9H8N2O3S
Molecular Weight:
224.2364
MDL Number:
MFCD26866522
IUPAC Name:
4-(3,5-dioxopiperazin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H8N2O3S/c12-4-7-1-6(5-15-7)11-2-8(13)10-9(14)3-11/h1,4-5H,2-3H2,(H,10,13,14)
InChI Key:
WXCPIYMLVJGKNS-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)N1CC(=O)NC(=O)C1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.234g/mol
Monoisotopic Mass:
224.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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