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114290-34-5 | 3H-Xanthen-3-one, 2,6,7-trihydroxy-9-undecyl-
CAS No: 114290-34-5 Catalog No: AG000AZE MDL No:
Product Description
Catalog Number:
AG000AZE
Chemical Name:
3H-Xanthen-3-one, 2,6,7-trihydroxy-9-undecyl-
CAS Number:
114290-34-5
Molecular Formula:
C24H30O5
Molecular Weight:
398.4920
IUPAC Name:
2,6,7-trihydroxy-9-undecylxanthen-3-one
InChI:
InChI=1S/C24H30O5/c1-2-3-4-5-6-7-8-9-10-11-16-17-12-19(25)21(27)14-23(17)29-24-15-22(28)20(26)13-18(16)24/h12-15,25-27H,2-11H2,1H3
InChI Key:
PJSABCZEWAKDDT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1c2cc(O)c(=O)cc2oc2c1cc(O)c(c2)O
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.209g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
398.499g/mol
Monoisotopic Mass:
398.209g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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