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113426-84-9 | 4,5-Octadienenitrile, 2-hydroxy-3,3,6-trimethyl-
CAS No: 113426-84-9 Catalog No: AG0008K1 MDL No:
Product Description
Catalog Number:
AG0008K1
Chemical Name:
4,5-Octadienenitrile, 2-hydroxy-3,3,6-trimethyl-
CAS Number:
113426-84-9
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
2-hydroxy-3,3,6-trimethylocta-4,5-dienenitrile
InChI:
InChI=1S/C11H17NO/c1-5-9(2)6-7-11(3,4)10(13)8-12/h7,10,13H,5H2,1-4H3
InChI Key:
LEOGKJYRFKREMI-UHFFFAOYSA-N
SMILES:
CCC(=C=CC(C(C#N)O)(C)C)C
Properties
Complexity:
274
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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