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149231-15-2 | 9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, (1R,9aS)-rel-(+)-
CAS No: 149231-15-2 Catalog No: AG001LIB MDL No:
Product Description
Catalog Number:
AG001LIB
Chemical Name:
9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, (1R,9aS)-rel-(+)-
CAS Number:
149231-15-2
Molecular Formula:
C13H10O3
Molecular Weight:
214.2167
IUPAC Name:
(1R,9aS)-1,9a-dihydroxy-1H-fluoren-9-one
InChI:
InChI=1S/C13H10O3/c14-11-7-3-6-10-8-4-1-2-5-9(8)12(15)13(10,11)16/h1-7,11,14,16H/t11-,13+/m1/s1
InChI Key:
CZWUUOGKBHOBEC-YPMHNXCESA-N
SMILES:
O[C@@H]1C=CC=C2[C@@]1(O)C(=O)c1c2cccc1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
214.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.22g/mol
Monoisotopic Mass:
214.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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