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Home > Other Heterocycles > 1272758-31-2
1272758-31-2 | 1,3,8-Triazaspiro[4.5]decan-4-one, 3-phenyl-
CAS No: 1272758-31-2 Catalog No: AG000WVG MDL No:MFCD18711604
Product Description
Catalog Number:
AG000WVG
Chemical Name:
1,3,8-Triazaspiro[4.5]decan-4-one, 3-phenyl-
CAS Number:
1272758-31-2
Molecular Formula:
C13H17N3O
Molecular Weight:
231.2936
MDL Number:
MFCD18711604
IUPAC Name:
3-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
InChI:
InChI=1S/C13H17N3O/c17-12-13(6-8-14-9-7-13)15-10-16(12)11-4-2-1-3-5-11/h1-5,14-15H,6-10H2
InChI Key:
RZMAAQXNIHFKQU-UHFFFAOYSA-N
SMILES:
O=C1N(CNC21CCNCC2)c1ccccc1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.299g/mol
Monoisotopic Mass:
231.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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