Cas no 27991-69-1 (Phenol, 3-amino-,1-(hydrogen sulfate))
27991-69-1 structure
Product Name:Phenol, 3-amino-,1-(hydrogen sulfate)
CAS No:27991-69-1
MF:C6H7NO4S
MW:189.189080476761
CID:282094
PubChem ID:182637
Update Time:2025-04-19
Phenol, 3-amino-,1-(hydrogen sulfate) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-amino-,1-(hydrogen sulfate)
- (3-aminophenyl) hydrogen sulfate
- SCHEMBL3381331
- 3-aminophenyl hydrogen sulfate
- DTXSID60950678
- Phenol, 3-amino-, 1-(hydrogen sulfate)
- 27991-69-1
- AKOS028109661
-
- Inchi： 1S/C6H7NO4S/c7-5-2-1-3-6(4-5)11-12(8,9)10/h1-4H,7H2,(H,8,9,10)
- InChI Key： IWAJNGNXXQKWON-UHFFFAOYSA-N
- SMILES： S(=O)(=O)(O)OC1C=CC=C(C=1)N
Computed Properties
- Exact Mass: 189.00961
- Monoisotopic Mass: 189.009578
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 232
- 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: 0
- Topological Polar Surface Area: 98
Experimental Properties
- Density: 1.606
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.64
- PSA: 89.62
Phenol, 3-amino-,1-(hydrogen sulfate) Related Literature
-
1. NotesD. E. Hathway,R. A. Shaw,M. Martin-Smith,Y. Pocker,G. D. Meakins,J. S. Stephenson,H. J. Emeléus,J. D. Smith,R. J. W. Cremlyn,G. W. Kenner,J. Mather,Alexander Todd,D. F. Downing,D. Woodcock,E. Boyland,D. Manson,A. S. Dunn,A. Hanrahan,B. G. Gowenlock,P. Pritchard Jones,D. W. Ovenall,I. T. Millar,C. T. Mortimer,H. D. Springall J. Chem. Soc. 1958 520
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