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3515-93-3

3515-93-3 | 4-Oxobutanenitrile

CAS No: 3515-93-3 Catalog No: AG0038SQ MDL No:MFCD00797978

Product Description

Catalog Number:
AG0038SQ
Chemical Name:
4-Oxobutanenitrile
CAS Number:
3515-93-3
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
MDL Number:
MFCD00797978
IUPAC Name:
4-oxobutanenitrile
InChI:
InChI=1S/C4H5NO/c5-3-1-2-4-6/h4H,1-2H2
InChI Key:
CGFGIKNLZTZJDE-UHFFFAOYSA-N
SMILES:
O=CCCC#N
EC Number:
222-518-8

Properties

Complexity:
78.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
83.037g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
83.09g/mol
Monoisotopic Mass:
83.037g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

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