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Home > Other Heterocycles > 30866-85-4
30866-85-4 | 6-Oxa-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CAS No: 30866-85-4 Catalog No: AG0031JI MDL No:
Product Description
Catalog Number:
AG0031JI
Chemical Name:
6-Oxa-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CAS Number:
30866-85-4
Molecular Formula:
C5H6N2O3
Molecular Weight:
142.1127
IUPAC Name:
6-oxa-3,8-diazabicyclo[3.2.1]octane-2,4-dione
InChI:
InChI=1S/C5H6N2O3/c8-3-2-1-10-5(6-2)4(9)7-3/h2,5-6H,1H2,(H,7,8,9)
InChI Key:
YEESOSRLZGMWEM-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2NC1OC2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.038g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.114g/mol
Monoisotopic Mass:
142.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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