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139964-85-5 | 8-Tridecene-3,5-dione, 7-hydroxy-4,6,8,10-tetramethyl-
CAS No: 139964-85-5 Catalog No: AG001BW3 MDL No:
Product Description
Catalog Number:
AG001BW3
Chemical Name:
8-Tridecene-3,5-dione, 7-hydroxy-4,6,8,10-tetramethyl-
CAS Number:
139964-85-5
Molecular Formula:
C17H30O3
Molecular Weight:
282.4183
IUPAC Name:
7-hydroxy-4,6,8,10-tetramethyltridec-8-ene-3,5-dione
InChI:
InChI=1S/C17H30O3/c1-7-9-11(3)10-12(4)16(19)14(6)17(20)13(5)15(18)8-2/h10-11,13-14,16,19H,7-9H2,1-6H3
InChI Key:
WASKQIKEAIWXFR-UHFFFAOYSA-N
SMILES:
CCCC(C=C(C(C(C(=O)C(C(=O)CC)C)C)O)C)C
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.219g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.424g/mol
Monoisotopic Mass:
282.219g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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