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1493573-95-7

1493573-95-7 | 5-(3,5-DIOXOPIPERAZIN-1-YL)THIOPHENE-2-CARBALDEHYDE

CAS No: 1493573-95-7 Catalog No: AG01C8MS MDL No:MFCD21682655

Product Description

Catalog Number:
AG01C8MS
Chemical Name:
5-(3,5-DIOXOPIPERAZIN-1-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1493573-95-7
Molecular Formula:
C9H8N2O3S
Molecular Weight:
224.2364
MDL Number:
MFCD21682655
IUPAC Name:
5-(3,5-dioxopiperazin-1-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H8N2O3S/c12-5-6-1-2-9(15-6)11-3-7(13)10-8(14)4-11/h1-2,5H,3-4H2,(H,10,13,14)
InChI Key:
RFMCQAFTLUZNDN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)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:
0.8  

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