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113952-57-1 | Ethanone, 1-[4-(2,6-dihydroxy-3-octylbenzoyl)-3-hydroxyphenyl]-
CAS No: 113952-57-1 Catalog No: AG000A4X MDL No:
Product Description
Catalog Number:
AG000A4X
Chemical Name:
Ethanone, 1-[4-(2,6-dihydroxy-3-octylbenzoyl)-3-hydroxyphenyl]-
CAS Number:
113952-57-1
Molecular Formula:
C23H28O5
Molecular Weight:
384.4654
IUPAC Name:
1-[4-(2,6-dihydroxy-3-octylbenzoyl)-3-hydroxyphenyl]ethanone
InChI:
InChI=1S/C23H28O5/c1-3-4-5-6-7-8-9-16-11-13-19(25)21(22(16)27)23(28)18-12-10-17(15(2)24)14-20(18)26/h10-14,25-27H,3-9H2,1-2H3
InChI Key:
UKBNXQMKUVPEQA-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(c(c1O)C(=O)c1ccc(cc1O)C(=O)C)O
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.194g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
384.472g/mol
Monoisotopic Mass:
384.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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