Home Nitriles 4-(cyanomethyl)oxane-4-carbonitrile

4-(cyanomethyl)oxane-4-carbonitrile

CAS No.:
194862-82-3
Catalog Number:
AG01B4WN
Molecular Formula:
C8H10N2O
Molecular Weight:
150.1778
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Product Description
Catalog Number:
AG01B4WN
Chemical Name:
4-(cyanomethyl)oxane-4-carbonitrile
CAS Number:
194862-82-3
Molecular Formula:
C8H10N2O
Molecular Weight:
150.1778
MDL Number:
MFCD12406022
IUPAC Name:
4-(cyanomethyl)oxane-4-carbonitrile
InChI:
InChI=1S/C8H10N2O/c9-4-1-8(7-10)2-5-11-6-3-8/h1-3,5-6H2
InChI Key:
QBNGKWDKDHYYHE-UHFFFAOYSA-N
SMILES:
N#CC1(CCOCC1)CC#N
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.079g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.181g/mol
Monoisotopic Mass:
150.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties