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116971-36-9 | 9H-Fluorene-2-hexanoic acid
CAS No: 116971-36-9 Catalog No: AG000DFR MDL No:
Product Description
Catalog Number:
AG000DFR
Chemical Name:
9H-Fluorene-2-hexanoic acid
CAS Number:
116971-36-9
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
6-(9H-fluoren-2-yl)hexanoic acid
InChI:
InChI=1S/C19H20O2/c20-19(21)9-3-1-2-6-14-10-11-18-16(12-14)13-15-7-4-5-8-17(15)18/h4-5,7-8,10-12H,1-3,6,9,13H2,(H,20,21)
InChI Key:
UEMKSUXPQOGDGP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCc1ccc2c(c1)Cc1c2cccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.146g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.367g/mol
Monoisotopic Mass:
280.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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