Home Nitriles 1-propoxycyclohexane-1-carbonitrile

1-propoxycyclohexane-1-carbonitrile

CAS No.:
1384429-48-4
Catalog Number:
AG019ZKW
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
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Product Description
Catalog Number:
AG019ZKW
Chemical Name:
1-propoxycyclohexane-1-carbonitrile
CAS Number:
1384429-48-4
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
MDL Number:
MFCD22369984
IUPAC Name:
1-propoxycyclohexane-1-carbonitrile
InChI:
InChI=1S/C10H17NO/c1-2-8-12-10(9-11)6-4-3-5-7-10/h2-8H2,1H3
InChI Key:
ZPGLDGYRWLKQOR-UHFFFAOYSA-N
SMILES:
CCCOC1(CCCCC1)C#N
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties