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16853-08-0 | 5(2H)-Azocinone, hexahydro-1-(phenylmethyl)-
CAS No: 16853-08-0 Catalog No: AG001Y4Y MDL No:MFCD23701698
Product Description
Catalog Number:
AG001Y4Y
Chemical Name:
5(2H)-Azocinone, hexahydro-1-(phenylmethyl)-
CAS Number:
16853-08-0
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
MDL Number:
MFCD23701698
IUPAC Name:
1-benzylazocan-5-one
InChI:
InChI=1S/C14H19NO/c16-14-8-4-10-15(11-5-9-14)12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2
InChI Key:
BLVRIFLULZGBNC-UHFFFAOYSA-N
SMILES:
O=C1CCCN(CCC1)Cc1ccccc1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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