Pregna-4,6-diene-3,20-dione


Chemical Name: Pregna-4,6-diene-3,20-dione
CAS Number: 1162-56-7
Product Number: AG000BW1(AGN-PC-0NYYSL)
Synonyms:
MDL No:
Molecular Formula: C21H28O2
Molecular Weight: 312.4458

Identification/Properties


Computed Properties
Molecular Weight:
312.453g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
312.209g/mol
Monoisotopic Mass:
312.209g/mol
Topological Polar Surface Area:
34.1A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
628
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
6
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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