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2060008-82-2

2060008-82-2 | 8-(4-methoxyphenyl)-6-azaspiro[3.4]octan-5-one

CAS No: 2060008-82-2 Catalog No: AG01BYQP MDL No:MFCD30487315

Product Description

Catalog Number:
AG01BYQP
Chemical Name:
8-(4-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CAS Number:
2060008-82-2
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD30487315
IUPAC Name:
8-(4-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
InChI:
InChI=1S/C14H17NO2/c1-17-11-5-3-10(4-6-11)12-9-15-13(16)14(12)7-2-8-14/h3-6,12H,2,7-9H2,1H3,(H,15,16)
InChI Key:
XLPBFYTZCNUMRR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CNC(=O)C21CCC2

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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