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89412-78-2 | 7-Octen-3-one, 2,6-dihydroxy-2,6-dimethyl-
CAS No: 89412-78-2 Catalog No: AG0043ZW MDL No:
Product Description
Catalog Number:
AG0043ZW
Chemical Name:
7-Octen-3-one, 2,6-dihydroxy-2,6-dimethyl-
CAS Number:
89412-78-2
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
IUPAC Name:
2,6-dihydroxy-2,6-dimethyloct-7-en-3-one
InChI:
InChI=1S/C10H18O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,12-13H,1,6-7H2,2-4H3
InChI Key:
VKXFRUXSIVKGDM-UHFFFAOYSA-N
SMILES:
C=CC(CCC(=O)C(O)(C)C)(O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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