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2654-76-4 | 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-methyl-6-nonadecyl-
CAS No: 2654-76-4 Catalog No: AG002TMH MDL No:
Product Description
Catalog Number:
AG002TMH
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-methyl-6-nonadecyl-
CAS Number:
2654-76-4
Molecular Formula:
C26H44O4
Molecular Weight:
420.6252
IUPAC Name:
2,5-dihydroxy-3-methyl-6-nonadecylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C26H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(29)23(27)21(2)24(28)26(22)30/h27,30H,3-20H2,1-2H3
InChI Key:
QOXSUQVHFNZZRI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCC1=C(O)C(=O)C(=C(C1=O)O)C
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
420.324g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
420.634g/mol
Monoisotopic Mass:
420.324g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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