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13254-68-7 | 3-Fluoranthenesulfonic acid
CAS No: 13254-68-7 Catalog No: AG0010SR MDL No:
Product Description
Catalog Number:
AG0010SR
Chemical Name:
3-Fluoranthenesulfonic acid
CAS Number:
13254-68-7
Molecular Formula:
C16H10O3S
Molecular Weight:
282.3138
IUPAC Name:
fluoranthene-3-sulfonic acid
InChI:
InChI=1S/C16H10O3S/c17-20(18,19)15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,(H,17,18,19)
InChI Key:
VBFORDFEGCAGEG-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1ccc2c3c1cccc3c1c2cccc1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.313g/mol
Monoisotopic Mass:
282.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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