Home Nitriles (Tetrahydropyran-4-ylidene)acetonitrile

(Tetrahydropyran-4-ylidene)acetonitrile

CAS No.:
204651-40-1
Catalog Number:
AG0029MJ
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG0029MJ
Chemical Name:
(Tetrahydropyran-4-ylidene)acetonitrile
CAS Number:
204651-40-1
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD09800849
IUPAC Name:
2-(oxan-4-ylidene)acetonitrile
InChI:
InChI=1S/C7H9NO/c8-4-1-7-2-5-9-6-3-7/h1H,2-3,5-6H2
InChI Key:
XITDIIYCZBJKTM-UHFFFAOYSA-N
SMILES:
N#CC=C1CCOCC1
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties