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10457-66-6 | Geroquinol
CAS No: 10457-66-6 Catalog No: AG008RBK MDL No:MFCD00867969
Product Description
Catalog Number:
AG008RBK
Chemical Name:
Geroquinol
CAS Number:
10457-66-6
MDL Number:
MFCD00867969
IUPAC Name:
2-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,4-diol
InChI:
InChI=1S/C16H22O2/c1-12(2)5-4-6-13(3)7-8-14-11-15(17)9-10-16(14)18/h5,7,9-11,17-18H,4,6,8H2,1-3H3/b13-7+
InChI Key:
ZSCRTFONTNMQBL-NTUHNPAUSA-N
UNII:
4155989DN5
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Fischerisin A and B, cytotoxic sesquiterpenoid-geranylhydroquinones from Ligularia fischeri. | Chemical & pharmaceutical bulletin 20110101 |
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