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Home > Other Heterocycles > 918447-79-7
918447-79-7 | 1,4-Diazaspiro[4.5]deca-1,3-diene, 2-ethyl-3-phenyl-, 1-oxide
CAS No: 918447-79-7 Catalog No: AG006QYZ MDL No:
Product Description
Catalog Number:
AG006QYZ
Chemical Name:
1,4-Diazaspiro[4.5]deca-1,3-diene, 2-ethyl-3-phenyl-, 1-oxide
CAS Number:
918447-79-7
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
IUPAC Name:
3-ethyl-4-oxido-2-phenyl-1-aza-4-azoniaspiro[4.5]deca-1,3-diene
InChI:
InChI=1S/C16H20N2O/c1-2-14-15(13-9-5-3-6-10-13)17-16(18(14)19)11-7-4-8-12-16/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3
InChI Key:
ZZEOWNVBKQMBCO-UHFFFAOYSA-N
SMILES:
CCC1=[N+]([O-])C2(N=C1c1ccccc1)CCCCC2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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