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16541-74-5 | Cyclohexanecarbonitrile, 4-hydroxy-1-phenyl-
CAS No: 16541-74-5 Catalog No: AG001W54 MDL No:
Product Description
Catalog Number:
AG001W54
Chemical Name:
Cyclohexanecarbonitrile, 4-hydroxy-1-phenyl-
CAS Number:
16541-74-5
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
4-hydroxy-1-phenylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C13H15NO/c14-10-13(8-6-12(15)7-9-13)11-4-2-1-3-5-11/h1-5,12,15H,6-9H2
InChI Key:
FJDFZHPXHLERAM-UHFFFAOYSA-N
SMILES:
OC1CCC(CC1)(C#N)c1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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