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139624-40-1 | Cyclohexanecarbonitrile, 2-oxo-1-(2-propen-1-yl)-
CAS No: 139624-40-1 Catalog No: AG001BF5 MDL No:
Product Description
Catalog Number:
AG001BF5
Chemical Name:
Cyclohexanecarbonitrile, 2-oxo-1-(2-propen-1-yl)-
CAS Number:
139624-40-1
Molecular Formula:
C10H13NO
Molecular Weight:
163.2163
IUPAC Name:
2-oxo-1-prop-2-enylcyclohexane-1-carbonitrile
InChI:
InChI=1S/C10H13NO/c1-2-6-10(8-11)7-4-3-5-9(10)12/h2H,1,3-7H2
InChI Key:
JZIJMMOJQCPYLA-UHFFFAOYSA-N
SMILES:
C=CCC1(C#N)CCCCC1=O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.1g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.22g/mol
Monoisotopic Mass:
163.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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