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82276-28-6 | 7H-Benzo[c]fluorene-6-carboxylic acid, 3,9-diethyl-5-hydroxy-7-oxo-
CAS No: 82276-28-6 Catalog No: AG005GI1 MDL No:
Product Description
Catalog Number:
AG005GI1
Chemical Name:
7H-Benzo[c]fluorene-6-carboxylic acid, 3,9-diethyl-5-hydroxy-7-oxo-
CAS Number:
82276-28-6
Molecular Formula:
C22H18O4
Molecular Weight:
346.3759
IUPAC Name:
3,9-diethyl-5-hydroxy-7-oxobenzo[c]fluorene-6-carboxylic acid
InChI:
InChI=1S/C22H18O4/c1-3-11-5-7-13-15(9-11)20(23)18-17(13)14-8-6-12(4-2)10-16(14)21(24)19(18)22(25)26/h5-10,24H,3-4H2,1-2H3,(H,25,26)
InChI Key:
LLUAMDVHHNCVFX-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)C(=O)c1c2c2ccc(cc2c(c1C(=O)O)O)CC
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.382g/mol
Monoisotopic Mass:
346.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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