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132333-58-5 | 1,6-Heptadien-3-one, 5-hydroxy-2,6-dimethyl-
CAS No: 132333-58-5 Catalog No: AG0010JY MDL No:
Product Description
Catalog Number:
AG0010JY
Chemical Name:
1,6-Heptadien-3-one, 5-hydroxy-2,6-dimethyl-
CAS Number:
132333-58-5
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
IUPAC Name:
5-hydroxy-2,6-dimethylhepta-1,6-dien-3-one
InChI:
InChI=1S/C9H14O2/c1-6(2)8(10)5-9(11)7(3)4/h8,10H,1,3,5H2,2,4H3
InChI Key:
RPVRKBAEZXRQHN-UHFFFAOYSA-N
SMILES:
OC(C(=C)C)CC(=O)C(=C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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