Home Nitriles 4-Phenyloxane-4-carbonitrile

4-Phenyloxane-4-carbonitrile

CAS No.:
1202-81-9
Catalog Number:
AG0076QE
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$169
- +
5g
98%
In Stock USA
United States
$610
- +
Product Description
Catalog Number:
AG0076QE
Chemical Name:
4-Phenyloxane-4-carbonitrile
CAS Number:
1202-81-9
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD00085697
IUPAC Name:
4-phenyloxane-4-carbonitrile
InChI:
InChI=1S/C12H13NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5H,6-9H2
InChI Key:
JQZWMLYXWOBPCV-UHFFFAOYSA-N
SMILES:
N#CC1(CCOCC1)c1ccccc1
NSC Number:
10064
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties