Home Nitriles 3-(1-Methylcyclopropyl)-3-oxopropanenitrile

3-(1-Methylcyclopropyl)-3-oxopropanenitrile

CAS No.:
88485-78-3
Catalog Number:
AG004A0M
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
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Product Description
Catalog Number:
AG004A0M
Chemical Name:
3-(1-Methylcyclopropyl)-3-oxopropanenitrile
CAS Number:
88485-78-3
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD04114335
IUPAC Name:
3-(1-methylcyclopropyl)-3-oxopropanenitrile
InChI:
InChI=1S/C7H9NO/c1-7(3-4-7)6(9)2-5-8/h2-4H2,1H3
InChI Key:
GSPAKADVCIANQO-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1(C)CC1
Properties
Complexity:
182  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties