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69634-31-7

69634-31-7 | 1H-Imidazol-2-yl[(1R)-1,2,3,4,4a,9,10,10aα-octahydro-1,4aα-dimethylphenanthren-1α-yl] ketone

CAS No: 69634-31-7 Catalog No: AG00FROZ MDL No:

Product Description

Catalog Number:
AG00FROZ
Chemical Name:
1H-Imidazol-2-yl[(1R)-1,2,3,4,4a,9,10,10aα-octahydro-1,4aα-dimethylphenanthren-1α-yl] ketone
CAS Number:
69634-31-7
IUPAC Name:
[(1R,4aR,10aR)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]-(1H-imidazol-2-yl)methanone
InChI:
InChI=1S/C20H24N2O/c1-19-10-5-11-20(2,17(23)18-21-12-13-22-18)16(19)9-8-14-6-3-4-7-15(14)19/h3-4,6-7,12-13,16H,5,8-11H2,1-2H3,(H,21,22)/t16-,19+,20-/m1/s1
InChI Key:
SYMXRKCCWAFQRD-LSTHTHJFSA-N

Properties

Complexity:
478  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
308.189g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
308.425g/mol
Monoisotopic Mass:
308.189g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  

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