Home Nitriles 1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile

1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile

CAS No.:
93413-76-4
Catalog Number:
AG0032B9
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(HPLC)
In Stock USA
United States
$289
- +
5g
98%(HPLC)
In Stock USA
United States
$1094
- +
Product Description
Catalog Number:
AG0032B9
Chemical Name:
1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile
CAS Number:
93413-76-4
Molecular Formula:
C15H19NO2
Molecular Weight:
245.3169
MDL Number:
MFCD06658142
IUPAC Name:
2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C15H19NO2/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-10H2,1H3
InChI Key:
ASYJSBPNAIDUHX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C1(O)CCCCC1)C#N
Properties
Complexity:
306  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.142g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.322g/mol
Monoisotopic Mass:
245.142g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties