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118431-88-2 | Cyclopropanepropanenitrile, β-oxo-
CAS No: 118431-88-2 Catalog No: AG000IU2 MDL No:MFCD04114392
Product Description
Catalog Number:
AG000IU2
Chemical Name:
Cyclopropanepropanenitrile, β-oxo-
CAS Number:
118431-88-2
Molecular Formula:
C6H7NO
Molecular Weight:
109.1259
MDL Number:
MFCD04114392
IUPAC Name:
3-cyclopropyl-3-oxopropanenitrile
InChI:
InChI=1S/C6H7NO/c7-4-3-6(8)5-1-2-5/h5H,1-3H2
InChI Key:
SDARMQNRQJBGQE-UHFFFAOYSA-N
SMILES:
N#CCC(=O)C1CC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.053g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
109.128g/mol
Monoisotopic Mass:
109.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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