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834-41-3 | 1-cyclohexyl-1-phenyl-prop-2-yn-1-ol
CAS No: 834-41-3 Catalog No: AG004RT1 MDL No:
Product Description
Catalog Number:
AG004RT1
Chemical Name:
1-cyclohexyl-1-phenyl-prop-2-yn-1-ol
CAS Number:
834-41-3
Molecular Formula:
C15H18O
Molecular Weight:
214.3028
IUPAC Name:
1-cyclohexyl-1-phenylprop-2-yn-1-ol
InChI:
InChI=1S/C15H18O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3,5-6,9-10,14,16H,4,7-8,11-12H2
InChI Key:
NLZBBWBRNFDIFG-UHFFFAOYSA-N
SMILES:
C#CC(c1ccccc1)(C1CCCCC1)O
NSC Number:
28863
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.308g/mol
Monoisotopic Mass:
214.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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