Home Nitriles 2-(6-methyloxan-2-yl)acetonitrile

2-(6-methyloxan-2-yl)acetonitrile

CAS No.:
343868-07-5
Catalog Number:
AG01BR0K
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
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Product Description
Catalog Number:
AG01BR0K
Chemical Name:
2-(6-methyloxan-2-yl)acetonitrile
CAS Number:
343868-07-5
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD29966444
IUPAC Name:
2-(6-methyloxan-2-yl)acetonitrile
InChI:
InChI=1S/C8H13NO/c1-7-3-2-4-8(10-7)5-6-9/h7-8H,2-5H2,1H3
InChI Key:
WSOKFQNITLTPPU-UHFFFAOYSA-N
SMILES:
CC1CCCC(O1)CC#N
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties