Home Nitriles 4-(2-oxopropyl)oxane-4-carbonitrile

4-(2-oxopropyl)oxane-4-carbonitrile

CAS No.:
1909306-39-3
Catalog Number:
AG01C31W
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
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Product Description
Catalog Number:
AG01C31W
Chemical Name:
4-(2-oxopropyl)oxane-4-carbonitrile
CAS Number:
1909306-39-3
Molecular Formula:
C9H13NO2
Molecular Weight:
167.2050
MDL Number:
MFCD29762772
IUPAC Name:
4-(2-oxopropyl)oxane-4-carbonitrile
InChI:
InChI=1S/C9H13NO2/c1-8(11)6-9(7-10)2-4-12-5-3-9/h2-6H2,1H3
InChI Key:
QFZZQHDYGCTPCG-UHFFFAOYSA-N
SMILES:
N#CC1(CCOCC1)CC(=O)C
Properties
Complexity:
220  
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:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties