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15100-52-4 | 1-Anthracenesulfonic acid
CAS No: 15100-52-4 Catalog No: AG001N0J MDL No:
Product Description
Catalog Number:
AG001N0J
Chemical Name:
1-Anthracenesulfonic acid
CAS Number:
15100-52-4
Molecular Formula:
C14H10O3S
Molecular Weight:
258.2924
IUPAC Name:
anthracene-1-sulfonic acid
InChI:
InChI=1S/C14H10O3S/c15-18(16,17)14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,(H,15,16,17)
InChI Key:
ILFFFKFZHRGICY-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1cccc2c1cc1ccccc1c2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.291g/mol
Monoisotopic Mass:
258.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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