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13809-81-9 | 19-Nor-5α,17α-pregn-20-yn-3-one, 5-chloro-17-hydroxy- (7CI,8CI)
CAS No: 13809-81-9 Catalog No: AG0017ZL MDL No:
Product Description
Catalog Number:
AG0017ZL
Chemical Name:
19-Nor-5α,17α-pregn-20-yn-3-one, 5-chloro-17-hydroxy- (7CI,8CI)
CAS Number:
13809-81-9
IUPAC Name:
5-chloro-17-ethynyl-17-hydroxy-13-methyl-2,4,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
InChI:
InChI=1S/C20H27ClO2/c1-3-20(23)11-8-16-14-7-10-19(21)12-13(22)4-5-17(19)15(14)6-9-18(16,20)2/h1,14-17,23H,4-12H2,2H3
InChI Key:
LUASCMMEHVJZGP-UHFFFAOYSA-N
EC Number:
604-059-9
NSC Number:
60468
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.17g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.884g/mol
Monoisotopic Mass:
334.17g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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