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89241-25-8 | 2(1H)-Azocinone, hexahydro-1-(2-phenylethyl)-
CAS No: 89241-25-8 Catalog No: AG0042O3 MDL No:
Product Description
Catalog Number:
AG0042O3
Chemical Name:
2(1H)-Azocinone, hexahydro-1-(2-phenylethyl)-
CAS Number:
89241-25-8
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
1-(2-phenylethyl)azocan-2-one
InChI:
InChI=1S/C15H21NO/c17-15-10-6-1-2-7-12-16(15)13-11-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2
InChI Key:
STQNXNVGJHXJJJ-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCN1CCc1ccccc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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