Home Nitriles 3-cyclopropyl-2-methyl-3-oxopropanenitrile

3-cyclopropyl-2-methyl-3-oxopropanenitrile

CAS No.:
1094430-44-0
Catalog Number:
AG01AKXO
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
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Product Description
Catalog Number:
AG01AKXO
Chemical Name:
3-cyclopropyl-2-methyl-3-oxopropanenitrile
CAS Number:
1094430-44-0
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD11208774
IUPAC Name:
3-cyclopropyl-2-methyl-3-oxopropanenitrile
InChI:
InChI=1S/C7H9NO/c1-5(4-8)7(9)6-2-3-6/h5-6H,2-3H2,1H3
InChI Key:
DVMXCJPNJWRQDC-UHFFFAOYSA-N
SMILES:
CC(C(=O)C1CC1)C#N
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties