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115930-43-3 | Androsta-4,6,8-triene-3,17-dione (9CI)
CAS No: 115930-43-3 Catalog No: AG000H46 MDL No:
Product Description
Catalog Number:
AG000H46
Chemical Name:
Androsta-4,6,8-triene-3,17-dione (9CI)
CAS Number:
115930-43-3
Molecular Formula:
C19H22O2
Molecular Weight:
282.3768
IUPAC Name:
(10S,13S,14S)-10,13-dimethyl-2,11,12,14,15,16-hexahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
InChI:
InChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,11,15H,5-10H2,1-2H3/t15-,18-,19-/m0/s1
InChI Key:
IVSWIZWRBZUXRO-SNRMKQJTSA-N
SMILES:
O=C1CC[C@]2(C(=C1)C=CC1=C2CC[C@]2([C@H]1CCC2=O)C)C
Properties
Complexity:
649
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
282.162g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.383g/mol
Monoisotopic Mass:
282.162g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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