Home Nitriles 3-methyloxane-4-carbonitrile

3-methyloxane-4-carbonitrile

CAS No.:
1696482-95-7
Catalog Number:
AG01A65Q
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
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Product Description
Catalog Number:
AG01A65Q
Chemical Name:
3-methyloxane-4-carbonitrile
CAS Number:
1696482-95-7
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD28246202
IUPAC Name:
3-methyloxane-4-carbonitrile
InChI:
InChI=1S/C7H11NO/c1-6-5-9-3-2-7(6)4-8/h6-7H,2-3,5H2,1H3
InChI Key:
KNGCBCDISSWKHZ-UHFFFAOYSA-N
SMILES:
N#CC1CCOCC1C
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties