Estra-1,3,5(10)-triene-3,17-diol, (17a)-


Chemical Name: Estra-1,3,5(10)-triene-3,17-diol, (17a)-
CAS Number: 57-91-0
Product Number: AG003NS5(AGN-PC-0OCN9R)
Synonyms:
MDL No:
Molecular Formula: C18H24O2
Molecular Weight: 272.3820

Identification/Properties


Properties
MP:
176-180 °C(lit.)
BP:
445.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.4800 (estimate)
Solubility:
ethanol: 50 mg/mL, clear, colorless
Computed Properties
Molecular Weight:
272.388g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
272.178g/mol
Monoisotopic Mass:
272.178g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
382
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
5
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H351
Precautionary Statements:
P281
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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