Home Nitriles 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile

CAS No.:
1315366-09-6
Catalog Number:
AG01AJH7
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
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Product Description
Catalog Number:
AG01AJH7
Chemical Name:
1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
CAS Number:
1315366-09-6
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD19382295
IUPAC Name:
1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carbonitrile
InChI:
InChI=1S/C9H13NO/c1-8-3-4-9(2,11-8)7(5-8)6-10/h7H,3-5H2,1-2H3
InChI Key:
HOBHWASTCNRNFE-UHFFFAOYSA-N
SMILES:
CC12CCC(O1)(CC2C#N)C
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties