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123072-86-6 | 7-Octen-4-one, 6-hydroxy-2,7-dimethyl-, (6R)-
CAS No: 123072-86-6 Catalog No: AG000K19 MDL No:
Product Description
Catalog Number:
AG000K19
Chemical Name:
7-Octen-4-one, 6-hydroxy-2,7-dimethyl-, (6R)-
CAS Number:
123072-86-6
Molecular Formula:
C10H18O2
Molecular Weight:
170.2487
IUPAC Name:
6-hydroxy-2,7-dimethyloct-7-en-4-one
InChI:
InChI=1S/C10H18O2/c1-7(2)5-9(11)6-10(12)8(3)4/h7,10,12H,3,5-6H2,1-2,4H3
InChI Key:
OKSNWMYTIISVJE-UHFFFAOYSA-N
SMILES:
CC(CC(=O)C[C@H](C(=C)C)O)C
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.252g/mol
Monoisotopic Mass:
170.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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