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Home > Other Heterocycles > 1394003-64-5
1394003-64-5 | 5-Azaspiro[2.4]heptan-4-one, 5-(phenylmethyl)-
CAS No: 1394003-64-5 Catalog No: AG001AYG MDL No:MFCD22543883
Product Description
Catalog Number:
AG001AYG
Chemical Name:
5-Azaspiro[2.4]heptan-4-one, 5-(phenylmethyl)-
CAS Number:
1394003-64-5
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
MDL Number:
MFCD22543883
IUPAC Name:
5-benzyl-5-azaspiro[2.4]heptan-4-one
InChI:
InChI=1S/C13H15NO/c15-12-13(6-7-13)8-9-14(12)10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI Key:
ITHTZJNFRNHLRK-UHFFFAOYSA-N
SMILES:
O=C1N(CCC21CC2)Cc1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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