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100702-71-4 | Estra-1,3,5(10)-triene-17-carbonitrile, 16,17-epoxy-3-hydroxy-, (16α,17α)- (9CI)
CAS No: 100702-71-4 Catalog No: AG0002NX MDL No:
Product Description
Catalog Number:
AG0002NX
Chemical Name:
Estra-1,3,5(10)-triene-17-carbonitrile, 16,17-epoxy-3-hydroxy-, (16α,17α)- (9CI)
CAS Number:
100702-71-4
IUPAC Name:
(1R,2S,7S,10S)-14-hydroxy-7-methyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadeca-11(16),12,14-triene-6-carbonitrile
InChI:
InChI=1S/C19H21NO2/c1-18-7-6-14-13-5-3-12(21)8-11(13)2-4-15(14)16(18)9-17-19(18,10-20)22-17/h3,5,8,14-17,21H,2,4,6-7,9H2,1H3/t14-,15-,16+,17?,18+,19?/m1/s1
InChI Key:
OJFZHBKHYAWBOC-SKPQLKPYSA-N
Properties
Complexity:
553
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
295.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.382g/mol
Monoisotopic Mass:
295.157g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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