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Home > Other Heterocycles > 286390-20-3
286390-20-3 | 3-Oxa-6-aza-bicyclo[3.1.1]heptane
CAS No: 286390-20-3 Catalog No: AG002VXQ MDL No:MFCD18793393
Product Description
Catalog Number:
AG002VXQ
Chemical Name:
3-Oxa-6-aza-bicyclo[3.1.1]heptane
CAS Number:
286390-20-3
Molecular Formula:
C5H9NO
Molecular Weight:
99.1311
MDL Number:
MFCD18793393
IUPAC Name:
3-oxa-6-azabicyclo[3.1.1]heptane
InChI:
InChI=1S/C5H9NO/c1-4-2-7-3-5(1)6-4/h4-6H,1-3H2
InChI Key:
BXMGZQQTBBJSPP-UHFFFAOYSA-N
SMILES:
O1CC2CC(C1)N2
Properties
Complexity:
76.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
99.068g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
99.133g/mol
Monoisotopic Mass:
99.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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