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68221-98-7 | Cyclohexanol, 2-(1H-indol-3-yl)-, trans-
CAS No: 68221-98-7 Catalog No: AG005YKJ MDL No:
Product Description
Catalog Number:
AG005YKJ
Chemical Name:
Cyclohexanol, 2-(1H-indol-3-yl)-, trans-
CAS Number:
68221-98-7
Molecular Formula:
C14H17NO
Molecular Weight:
215.2909
IUPAC Name:
(1R,2S)-2-(1H-indol-3-yl)cyclohexan-1-ol
InChI:
InChI=1S/C14H17NO/c16-14-8-4-2-6-11(14)12-9-15-13-7-3-1-5-10(12)13/h1,3,5,7,9,11,14-16H,2,4,6,8H2/t11-,14+/m0/s1
InChI Key:
SKDNUUCJZZOOGZ-SMDDNHRTSA-N
SMILES:
O[C@@H]1CCCC[C@H]1c1c[nH]c2c1cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
215.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.296g/mol
Monoisotopic Mass:
215.131g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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