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29414-56-0 | 1,5,7-Octatrien-3-ol, 2,6-dimethyl-
CAS No: 29414-56-0 Catalog No: AG002YAH MDL No:
Product Description
Catalog Number:
AG002YAH
Chemical Name:
1,5,7-Octatrien-3-ol, 2,6-dimethyl-
CAS Number:
29414-56-0
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
(5E)-2,6-dimethylocta-1,5,7-trien-3-ol
InChI:
InChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5-6,10-11H,1-2,7H2,3-4H3/b9-6+
InChI Key:
TYDDWHVJHGIJCW-RMKNXTFCSA-N
SMILES:
C=CC(=CCC(C(=C)C)O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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