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88456-24-0 | Hexanenitrile, 2-butyl-3-formyl-
CAS No: 88456-24-0 Catalog No: AG004FIR MDL No:
Product Description
Catalog Number:
AG004FIR
Chemical Name:
Hexanenitrile, 2-butyl-3-formyl-
CAS Number:
88456-24-0
Molecular Formula:
C11H19NO
Molecular Weight:
181.2747
IUPAC Name:
2-butyl-3-formylhexanenitrile
InChI:
InChI=1S/C11H19NO/c1-3-5-7-10(8-12)11(9-13)6-4-2/h9-11H,3-7H2,1-2H3
InChI Key:
JSQZNDTYKZKSOG-UHFFFAOYSA-N
SMILES:
CCCCC(C(CCC)C=O)C#N
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.279g/mol
Monoisotopic Mass:
181.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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