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Home > Other Heterocycles > 1876227-20-1
1876227-20-1 | 3-phenyl-2-azaspiro[3.4]octan-1-one
CAS No: 1876227-20-1 Catalog No: AG01C1I1 MDL No:MFCD29047314
Product Description
Catalog Number:
AG01C1I1
Chemical Name:
3-phenyl-2-azaspiro[3.4]octan-1-one
CAS Number:
1876227-20-1
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
MDL Number:
MFCD29047314
IUPAC Name:
1-phenyl-2-azaspiro[3.4]octan-3-one
InChI:
InChI=1S/C13H15NO/c15-12-13(8-4-5-9-13)11(14-12)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2,(H,14,15)
InChI Key:
IYKGEDZPDLIKKC-UHFFFAOYSA-N
SMILES:
O=C1NC(C21CCCC2)c1ccccc1
Properties
Complexity:
262
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:
1
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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