Home Nitriles 2-methyloxane-2-carbonitrile

2-methyloxane-2-carbonitrile

CAS No.:
19679-86-8
Catalog Number:
AG019ZZA
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
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Product Description
Catalog Number:
AG019ZZA
Chemical Name:
2-methyloxane-2-carbonitrile
CAS Number:
19679-86-8
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD31380982
IUPAC Name:
2-methyloxane-2-carbonitrile
InChI:
InChI=1S/C7H11NO/c1-7(6-8)4-2-3-5-9-7/h2-5H2,1H3
InChI Key:
AGNVIBOKLMPASL-UHFFFAOYSA-N
SMILES:
N#CC1(C)CCCCO1
Properties
Complexity:
146  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties