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Home > Other Heterocycles > 887220-96-4
887220-96-4 | 3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CAS No: 887220-96-4 Catalog No: AG00IFCN MDL No:MFCD06751102
Product Description
Catalog Number:
AG00IFCN
Chemical Name:
3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CAS Number:
887220-96-4
Molecular Formula:
C13H15N3O
Molecular Weight:
229.2777
MDL Number:
MFCD06751102
IUPAC Name:
3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
InChI:
InChI=1S/C13H15N3O/c17-12-11(10-4-2-1-3-5-10)15-13(16-12)6-8-14-9-7-13/h1-5,14H,6-9H2,(H,16,17)
InChI Key:
FOGBSBXOAACIHS-UHFFFAOYSA-N
SMILES:
O=C1NC2(N=C1c1ccccc1)CCNCC2
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.283g/mol
Monoisotopic Mass:
229.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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