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2060020-63-3

2060020-63-3 | 4-(4-ethylphenyl)-2-azaspiro[4.4]nonan-1-one

CAS No: 2060020-63-3 Catalog No: AG01BZVA MDL No:MFCD30486890

Product Description

Catalog Number:
AG01BZVA
Chemical Name:
4-(4-ethylphenyl)-2-azaspiro[4.4]nonan-1-one
CAS Number:
2060020-63-3
Molecular Formula:
C16H21NO
Molecular Weight:
243.3440
MDL Number:
MFCD30486890
IUPAC Name:
4-(4-ethylphenyl)-2-azaspiro[4.4]nonan-1-one
InChI:
InChI=1S/C16H21NO/c1-2-12-5-7-13(8-6-12)14-11-17-15(18)16(14)9-3-4-10-16/h5-8,14H,2-4,9-11H2,1H3,(H,17,18)
InChI Key:
ULPJDCDKHANBKU-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C1CNC(=O)C21CCCC2

Properties

Complexity:
311  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.162g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.35g/mol
Monoisotopic Mass:
243.162g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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