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157536-05-5 | 2-Dibenzofurancarboxylic acid, 3,7-dihydroxy-1,9-bis(2-oxoheptyl)-
CAS No: 157536-05-5 Catalog No: AG001PIJ MDL No:
Product Description
Catalog Number:
AG001PIJ
Chemical Name:
2-Dibenzofurancarboxylic acid, 3,7-dihydroxy-1,9-bis(2-oxoheptyl)-
CAS Number:
157536-05-5
Molecular Formula:
C27H32O7
Molecular Weight:
468.5388
IUPAC Name:
3,7-dihydroxy-1,9-bis(2-oxoheptyl)dibenzofuran-2-carboxylic acid
InChI:
InChI=1S/C27H32O7/c1-3-5-7-9-17(28)11-16-12-19(30)14-22-24(16)26-20(13-18(29)10-8-6-4-2)25(27(32)33)21(31)15-23(26)34-22/h12,14-15,30-31H,3-11,13H2,1-2H3,(H,32,33)
InChI Key:
BFEQZBAYSUCJRY-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)Cc1cc(O)cc2c1c1c(o2)cc(c(c1CC(=O)CCCCC)C(=O)O)O
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.215g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
468.546g/mol
Monoisotopic Mass:
468.215g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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