Home Aldehydes 4-(3-oxopiperazin-1-yl)benzaldehyde

4-(3-oxopiperazin-1-yl)benzaldehyde

CAS No.:
1021240-40-3
Catalog Number:
AG019RTR
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
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Product Description
Catalog Number:
AG019RTR
Chemical Name:
4-(3-oxopiperazin-1-yl)benzaldehyde
CAS Number:
1021240-40-3
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD11156400
IUPAC Name:
4-(3-oxopiperazin-1-yl)benzaldehyde
InChI:
InChI=1S/C11H12N2O2/c14-8-9-1-3-10(4-2-9)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15)
InChI Key:
UTDGWGHLQNPKOZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)N1CCNC(=O)C1
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties