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Home > Other Heterocycles > 98975-16-7
98975-16-7 | (1S,6S)-5-METHYLIDENE-2-OXA-7,9-DIAZABICYCLO[4.2.2]DECANE-8,10-DIONE
CAS No: 98975-16-7 Catalog No: AG0066KW MDL No:
Product Description
Catalog Number:
AG0066KW
Chemical Name:
(1S,6S)-5-METHYLIDENE-2-OXA-7,9-DIAZABICYCLO[4.2.2]DECANE-8,10-DIONE
CAS Number:
98975-16-7
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
IUPAC Name:
(1S,6S)-5-methylidene-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione
InChI:
InChI=1S/C8H10N2O3/c1-4-2-3-13-8-7(12)9-5(4)6(11)10-8/h5,8H,1-3H2,(H,9,12)(H,10,11)/t5-,8-/m0/s1
InChI Key:
BSWAKPMUPFLVGI-XNCJUZBTSA-N
SMILES:
O=C1N[C@H]2C(=C)CCO[C@@H]1NC2=O
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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