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Home > Other Building Blocks > 138090-17-2
138090-17-2 | 2,8-Chrysenediol, 5,6,11,12-tetrahydro-
CAS No: 138090-17-2 Catalog No: AG0017ZC MDL No:
Product Description
Catalog Number:
AG0017ZC
Chemical Name:
2,8-Chrysenediol, 5,6,11,12-tetrahydro-
CAS Number:
138090-17-2
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
5,6,11,12-tetrahydrochrysene-2,8-diol
InChI:
InChI=1S/C18H16O2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h3-4,7-10,19-20H,1-2,5-6H2
InChI Key:
JBPZHQMEGZUBPG-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)CCC1=C2CCc2c1ccc(c2)O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of hexahydrochrysene and tetrahydrobenzofluorene ligands for the estrogen receptor. | Bioorganic & medicinal chemistry letters 20010521 |
| Estrogen receptor subtype-selective ligands: asymmetric synthesis and biological evaluation of cis- and trans-5,11-dialkyl- 5,6,11, 12-tetrahydrochrysenes. | Journal of medicinal chemistry 19990701 |
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