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Home > Other Heterocycles > 72323-52-5
72323-52-5 | 8-PENTYL-2,4-DIAZABICYCLO[4.2.0]OCT-7-ENE-3,5-DIONE
CAS No: 72323-52-5 Catalog No: AG005I8Z MDL No:
Product Description
Catalog Number:
AG005I8Z
Chemical Name:
8-PENTYL-2,4-DIAZABICYCLO[4.2.0]OCT-7-ENE-3,5-DIONE
CAS Number:
72323-52-5
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
IUPAC Name:
8-pentyl-2,4-diazabicyclo[4.2.0]oct-7-ene-3,5-dione
InChI:
InChI=1S/C11H16N2O2/c1-2-3-4-5-7-6-8-9(7)12-11(15)13-10(8)14/h6,8-9H,2-5H2,1H3,(H2,12,13,14,15)
InChI Key:
VSHUBZXMMRACST-UHFFFAOYSA-N
SMILES:
CCCCCC1=CC2C1NC(=O)NC2=O
NSC Number:
355349
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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