Cas no 33927-45-6 (Benzoic acid, 3-hydroxy-2,4,6-trinitro-)
33927-45-6 structure
Product Name:Benzoic acid, 3-hydroxy-2,4,6-trinitro-
CAS No:33927-45-6
MF:C7H3N3O9
MW:273.113421678543
CID:291696
PubChem ID:13314545
Update Time:2025-04-19
Benzoic acid, 3-hydroxy-2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-hydroxy-2,4,6-trinitro-
- 3-hydroxy-2,4,6-trinitrobenzoic acid
- AKOS016353075
- C7H3N3O9
- MFCD26593758
- 3-hydroxy-2,4,6-trinitrobenzoicacid
- 33927-45-6
- NS-04412
- DTXSID40536479
-
- Inchi： 1S/C7H3N3O9/c11-6-3(9(16)17)1-2(8(14)15)4(7(12)13)5(6)10(18)19/h1,11H,(H,12,13)
- InChI Key： MUQNQWRNZSFYBX-UHFFFAOYSA-N
- SMILES： OC1=C(C=C(C(C(=O)O)=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 272.98692868g/mol
- Monoisotopic Mass: 272.98692868g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 421
- 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: 1.1
- Topological Polar Surface Area: 195?2
Benzoic acid, 3-hydroxy-2,4,6-trinitro- Related Literature
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1. NotesE. D. Davies,J. G. Tillett,D. S. Urch,El S. Amin,S. M. Mukherji,R. K. Sharma,O. P. Vig,E. F. G. Herington,A. J. Birch,A. J. Ryan,Herchel Smith,G. A. Hughes,B. O. G. Schuler,A. A. Verbeek,F. L. Warren,G. M. Badger,H. J. Rodda,Jenneth M. Sasse,D. A. H. Taylor,J. A. Ballantine,R. J. S. Beer,Alexander Robertson,D. C. Bradley,F. Stansfield,John Harley-Mason,R. F. J. Ingleby,T. C. Waddington,D. W. S. Evans J. Chem. Soc. 1958 4766
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