Home Nitriles 4-methyl-3-oxoheptanenitrile

4-methyl-3-oxoheptanenitrile

CAS No.:
1039833-22-1
Catalog Number:
AG01AKWY
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
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Product Description
Catalog Number:
AG01AKWY
Chemical Name:
4-methyl-3-oxoheptanenitrile
CAS Number:
1039833-22-1
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD11187377
IUPAC Name:
4-methyl-3-oxoheptanenitrile
InChI:
InChI=1S/C8H13NO/c1-3-4-7(2)8(10)5-6-9/h7H,3-5H2,1-2H3
InChI Key:
CSHWFLZODHQZHN-UHFFFAOYSA-N
SMILES:
CCCC(C(=O)CC#N)C
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties