Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propenyl)-, (17b)-


Chemical Name: Estra-4,9,11-trien-3-one, 17-hydroxy-17-(2-propenyl)-, (17b)-
CAS Number: 850-52-2
Product Number: AG00IDI2(AGN-PC-0UX0JU)
Synonyms:
MDL No:
Molecular Formula: C21H26O2
Molecular Weight: 310.4299

Identification/Properties


Computed Properties
Molecular Weight:
310.437g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
310.193g/mol
Monoisotopic Mass:
310.193g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
665
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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