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114041-07-5 | Azocine, 1-(1-cyclopenten-1-yl)octahydro-
CAS No: 114041-07-5 Catalog No: AG000ADB MDL No:
Product Description
Catalog Number:
AG000ADB
Chemical Name:
Azocine, 1-(1-cyclopenten-1-yl)octahydro-
CAS Number:
114041-07-5
Molecular Formula:
C12H21N
Molecular Weight:
179.3018
IUPAC Name:
1-(cyclopenten-1-yl)azocane
InChI:
InChI=1S/C12H21N/c1-2-6-10-13(11-7-3-1)12-8-4-5-9-12/h8H,1-7,9-11H2
InChI Key:
FHFQQGLSNQUWIB-UHFFFAOYSA-N
SMILES:
C1CCCCN(CC1)C1=CCCC1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.167g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.307g/mol
Monoisotopic Mass:
179.167g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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