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99967-32-5 | 2-Ethylbutanoyl cyanide
CAS No: 99967-32-5 Catalog No: AG003VL2 MDL No:
Product Description
Catalog Number:
AG003VL2
Chemical Name:
2-Ethylbutanoyl cyanide
CAS Number:
99967-32-5
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
IUPAC Name:
2-ethylbutanoyl cyanide
InChI:
InChI=1S/C7H11NO/c1-3-6(4-2)7(9)5-8/h6H,3-4H2,1-2H3
InChI Key:
ABKBEUGPMZDZKE-UHFFFAOYSA-N
SMILES:
CCC(C(=O)C#N)CC
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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