Cas no 61482-53-9 (Naphthalenediol, (phenylsulfonyl)-)
61482-53-9 structure
Product Name:Naphthalenediol, (phenylsulfonyl)-
CAS No:61482-53-9
MF:C16H12O4S
MW:300.329083442688
CID:477763
PubChem ID:71395431
Update Time:2025-04-19
Naphthalenediol, (phenylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalenediol, (phenylsulfonyl)-
- 3-(benzenesulfonyl)naphthalene-1,2-diol
- DTXSID30817047
- 61482-53-9
-
- Inchi： 1S/C16H12O4S/c17-15-13-9-5-4-6-11(13)10-14(16(15)18)21(19,20)12-7-2-1-3-8-12/h1-10,17-18H
- InChI Key： JIUCYTNLMQJBSK-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(C1C(=C(C2C=CC=CC=2C=1)O)O)(=O)=O
Computed Properties
- Exact Mass: 300.04566
- Monoisotopic Mass: 300.04563003g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 449
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 83?2
Experimental Properties
- PSA: 74.6
Naphthalenediol, (phenylsulfonyl)- Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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