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68221-96-5 | Cyclohexanone, 2-(1H-indol-3-yl)-
CAS No: 68221-96-5 Catalog No: AG005LP7 MDL No:
Product Description
Catalog Number:
AG005LP7
Chemical Name:
Cyclohexanone, 2-(1H-indol-3-yl)-
CAS Number:
68221-96-5
Molecular Formula:
C14H15NO
Molecular Weight:
213.2750
IUPAC Name:
2-(1H-indol-3-yl)cyclohexan-1-one
InChI:
InChI=1S/C14H15NO/c16-14-8-4-2-6-11(14)12-9-15-13-7-3-1-5-10(12)13/h1,3,5,7,9,11,15H,2,4,6,8H2
InChI Key:
FXBDTNJPFPZNSZ-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1c1c[nH]c2c1cccc2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.28g/mol
Monoisotopic Mass:
213.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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