Home Other Building Blocks 1-(3-oxopiperazin-1-yl)butane-1,3-dione

1-(3-oxopiperazin-1-yl)butane-1,3-dione

CAS No.:
1183530-90-6
Catalog Number:
AG01B1OY
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
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Product Description
Catalog Number:
AG01B1OY
Chemical Name:
1-(3-oxopiperazin-1-yl)butane-1,3-dione
CAS Number:
1183530-90-6
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
MDL Number:
MFCD12808844
IUPAC Name:
1-(3-oxopiperazin-1-yl)butane-1,3-dione
InChI:
InChI=1S/C8H12N2O3/c1-6(11)4-8(13)10-3-2-9-7(12)5-10/h2-5H2,1H3,(H,9,12)
InChI Key:
QPRRIUVXZBEIMU-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)N1CCNC(=O)C1
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties