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1135-72-4 | Benzenemethanol, α-(1-hydroxycyclohexyl)-
CAS No: 1135-72-4 Catalog No: AG0008S1 MDL No:
Product Description
Catalog Number:
AG0008S1
Chemical Name:
Benzenemethanol, α-(1-hydroxycyclohexyl)-
CAS Number:
1135-72-4
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
1-[hydroxy(phenyl)methyl]cyclohexan-1-ol
InChI:
InChI=1S/C13H18O2/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,12,14-15H,2,5-6,9-10H2
InChI Key:
IHBQQMPFWYZRPM-UHFFFAOYSA-N
SMILES:
OC(C1(O)CCCCC1)c1ccccc1
NSC Number:
57855
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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