Cas no 26408-93-5 (2H-1-Benzopyran-2-one,4-heptadecyl-7-hydroxy-)
26408-93-5 structure
Product Name:2H-1-Benzopyran-2-one,4-heptadecyl-7-hydroxy-
CAS No:26408-93-5
MF:C12H11NO3S
MW:249.285641908646
CID:268003
PubChem ID:117791
Update Time:2025-04-19
2H-1-Benzopyran-2-one,4-heptadecyl-7-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one,4-heptadecyl-7-hydroxy-
- (3-aminophenyl) benzenesulfonate
- 3-aminophenyl benzenesulfonate
- m-Aminophenyl benzenesulphonate
- Phenol, 3-amino-, 1-benzenesulfonate
- Phenol, 3-amino-, benzenesulfonate (ester)
- EINECS 247-677-0
- 26408-93-5
- NS00052083
- W-110659
- SCHEMBL6666074
- DTXSID30885347
-
- Inchi： 1S/C12H11NO3S/c13-10-5-4-6-11(9-10)16-17(14,15)12-7-2-1-3-8-12/h1-9H,13H2
- InChI Key： DGMUOPTYPWAHII-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)(=O)(=O)OC1C=CC=C(C=1)N
Computed Properties
- Exact Mass: 249.04603
- Monoisotopic Mass: 249.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 330
- 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: 2.4
- Topological Polar Surface Area: 77.8A^2
Experimental Properties
- Density: 1.344
- Boiling Point: 451.3°Cat760mmHg
- Flash Point: 226.7°C
- Refractive Index: 1.626
- PSA: 69.39
2H-1-Benzopyran-2-one,4-heptadecyl-7-hydroxy- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
26408-93-5 (2H-1-Benzopyran-2-one,4-heptadecyl-7-hydroxy-) Related Products
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