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17721-46-9 | Methanone, (hexahydro-1(2H)-azocinyl)phenyl-
CAS No: 17721-46-9 Catalog No: AG00256N MDL No:
Product Description
Catalog Number:
AG00256N
Chemical Name:
Methanone, (hexahydro-1(2H)-azocinyl)phenyl-
CAS Number:
17721-46-9
Molecular Formula:
C14H19NO
Molecular Weight:
217.3068
IUPAC Name:
azocan-1-yl(phenyl)methanone
InChI:
InChI=1S/C14H19NO/c16-14(13-9-5-4-6-10-13)15-11-7-2-1-3-8-12-15/h4-6,9-10H,1-3,7-8,11-12H2
InChI Key:
VCEKELYMIZRCFL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N1CCCCCCC1
Properties
Complexity:
213
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:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.312g/mol
Monoisotopic Mass:
217.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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