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80752-21-2 | (3s,4s)-6-fluoro-7-(hydroxymethyl)-12-methyl-3,4-dihydrotetraphene-3,4-diol
CAS No: 80752-21-2 Catalog No: AG0051FP MDL No:
Product Description
Catalog Number:
AG0051FP
Chemical Name:
(3s,4s)-6-fluoro-7-(hydroxymethyl)-12-methyl-3,4-dihydrotetraphene-3,4-diol
CAS Number:
80752-21-2
Molecular Formula:
C20H17FO3
Molecular Weight:
324.3456
IUPAC Name:
(3S,4S)-6-fluoro-7-(hydroxymethyl)-12-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
InChI:
InChI=1S/C20H17FO3/c1-10-11-4-2-3-5-12(11)15(9-22)19-16(21)8-14-13(18(10)19)6-7-17(23)20(14)24/h2-8,17,20,22-24H,9H2,1H3/t17-,20-/m0/s1
InChI Key:
LAKVOMYLAGQYPS-PXNSSMCTSA-N
SMILES:
OCc1c2c(F)cc3c(c2c(c2c1cccc2)C)C=C[C@@H]([C@H]3O)O
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
324.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
324.351g/mol
Monoisotopic Mass:
324.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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