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1488741-40-7 | 5-(3,5-DIOXOPIPERAZIN-1-YL)FURAN-2-CARBALDEHYDE
CAS No: 1488741-40-7 Catalog No: AG01C8J1 MDL No:MFCD21682651
Product Description
Catalog Number:
AG01C8J1
Chemical Name:
5-(3,5-DIOXOPIPERAZIN-1-YL)FURAN-2-CARBALDEHYDE
CAS Number:
1488741-40-7
Molecular Formula:
C9H8N2O4
Molecular Weight:
208.1708
MDL Number:
MFCD21682651
IUPAC Name:
5-(3,5-dioxopiperazin-1-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C9H8N2O4/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:
NIYPBOLFZGRCKB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CC(=O)NC(=O)C1
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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