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178419-48-2 | Spiro[1-azabicyclo[2.2.1]heptane-3,5'-oxazolidin]-2'-one
CAS No: 178419-48-2 Catalog No: AG00260M MDL No:
Product Description
Catalog Number:
AG00260M
Chemical Name:
Spiro[1-azabicyclo[2.2.1]heptane-3,5'-oxazolidin]-2'-one
CAS Number:
178419-48-2
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.1]heptane]-2-one
InChI:
InChI=1S/C8H12N2O2/c11-7-9-4-8(12-7)5-10-2-1-6(8)3-10/h6H,1-5H2,(H,9,11)
InChI Key:
ZFHCHOLMGCNVBD-UHFFFAOYSA-N
SMILES:
O=C1NCC2(O1)CN1CC2CC1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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