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Home > Nitro Compounds > 70636-63-4
70636-63-4 | 3-Hydroxy-1,3,5(10)-estratrien-17-one 2,4-dinitrophenyl hydrazone
CAS No: 70636-63-4 Catalog No: AG00FSNA MDL No:
Product Description
Catalog Number:
AG00FSNA
Chemical Name:
3-Hydroxy-1,3,5(10)-estratrien-17-one 2,4-dinitrophenyl hydrazone
CAS Number:
70636-63-4
IUPAC Name:
(8R,9S,13S,14S,17Z)-17-[(2,4-dinitrophenyl)hydrazinylidene]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
InChI:
InChI=1S/C24H26N4O5/c1-24-11-10-18-17-6-4-16(29)12-14(17)2-5-19(18)20(24)7-9-23(24)26-25-21-8-3-15(27(30)31)13-22(21)28(32)33/h3-4,6,8,12-13,18-20,25,29H,2,5,7,9-11H2,1H3/b26-23-/t18-,19-,20+,24+/m1/s1
InChI Key:
KAKOMXUAHHRKJF-LVUOHTCSSA-N
Properties
Complexity:
810
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
1
Exact Mass:
450.19g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
450.495g/mol
Monoisotopic Mass:
450.19g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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