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161512-72-7 | 6-Octen-2-one, 3,7-dimethyl-, (3S)-
CAS No: 161512-72-7 Catalog No: AG001VMZ MDL No:
Product Description
Catalog Number:
AG001VMZ
Chemical Name:
6-Octen-2-one, 3,7-dimethyl-, (3S)-
CAS Number:
161512-72-7
Molecular Formula:
C10H18O
Molecular Weight:
154.2493
IUPAC Name:
(3S)-3,7-dimethyloct-6-en-2-one
InChI:
InChI=1S/C10H18O/c1-8(2)6-5-7-9(3)10(4)11/h6,9H,5,7H2,1-4H3/t9-/m0/s1
InChI Key:
SSAUUPMMKRJNMJ-VIFPVBQESA-N
SMILES:
CC(=CCC[C@@H](C(=O)C)C)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
154.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.253g/mol
Monoisotopic Mass:
154.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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