Home Nitriles 4-[(oxiran-2-yl)methyl]oxane-4-carbonitrile

4-[(oxiran-2-yl)methyl]oxane-4-carbonitrile

CAS No.:
1823985-01-8
Catalog Number:
AG01BXI4
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG01BXI4
Chemical Name:
4-[(oxiran-2-yl)methyl]oxane-4-carbonitrile
CAS Number:
1823985-01-8
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD28037664
IUPAC Name:
4-(oxiran-2-ylmethyl)oxane-4-carbonitrile
InChI:
InChI=1S/C9H13NO2/c10-7-9(5-8-6-12-8)1-3-11-4-2-9/h8H,1-6H2
InChI Key:
PCSFPONESOVJMA-UHFFFAOYSA-N
SMILES:
N#CC1(CCOCC1)CC1CO1
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.208g/mol
Monoisotopic Mass:
167.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties