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1854905-21-7

1854905-21-7 | 5-(3-methyl-5-oxopiperazin-1-yl)furan-2-carbaldehyde

CAS No: 1854905-21-7 Catalog No: AG01C8VF MDL No:MFCD31443319

Product Description

Catalog Number:
AG01C8VF
Chemical Name:
5-(3-methyl-5-oxopiperazin-1-yl)furan-2-carbaldehyde
CAS Number:
1854905-21-7
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD31443319
IUPAC Name:
5-(3-methyl-5-oxopiperazin-1-yl)furan-2-carbaldehyde
InChI:
InChI=1S/C10H12N2O3/c1-7-4-12(5-9(14)11-7)10-3-2-8(6-13)15-10/h2-3,6-7H,4-5H2,1H3,(H,11,14)
InChI Key:
CDBBUGMDEZQURE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)N1CC(C)NC(=O)C1

Properties

Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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