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76134-88-8 | 3-Oxa-1-azabicyclo[4.2.0]octan-8-one, 7-azido-2,2-dimethyl-, trans-
CAS No: 76134-88-8 Catalog No: AG005RTA MDL No:
Product Description
Catalog Number:
AG005RTA
Chemical Name:
3-Oxa-1-azabicyclo[4.2.0]octan-8-one, 7-azido-2,2-dimethyl-, trans-
CAS Number:
76134-88-8
Molecular Formula:
C8H12N4O2
Molecular Weight:
196.2065
IUPAC Name:
(6R,7S)-7-azido-2,2-dimethyl-3-oxa-1-azabicyclo[4.2.0]octan-8-one
InChI:
InChI=1S/C8H12N4O2/c1-8(2)12-5(3-4-14-8)6(7(12)13)10-11-9/h5-6H,3-4H2,1-2H3/t5-,6+/m1/s1
InChI Key:
JLJLLMZWKIQARR-RITPCOANSA-N
SMILES:
[N-]=[N+]=N[C@@H]1C(=O)N2[C@@H]1CCOC2(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
196.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.21g/mol
Monoisotopic Mass:
196.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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