Cas no 134250-58-1 (1,3-Propanediol, 1-(4-nitrophenyl)-)
134250-58-1 structure
Product Name:1,3-Propanediol, 1-(4-nitrophenyl)-
CAS No:134250-58-1
MF:C9H11NO4
MW:197.187942743301
CID:1243012
PubChem ID:11830377
Update Time:2025-04-20
1,3-Propanediol, 1-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol, 1-(4-nitrophenyl)-
- 1-(4-nitrophenyl)propane-1,3-diol
- 1-(4-Nitrophenyl)-propane-1,3-diol
- SCHEMBL5230840
- 134250-58-1
- (4-nitrophenyl)-1,3-propanediol
- DTXSID50474075
- MTRHTGYVJNOERG-UHFFFAOYSA-N
-
- Inchi： 1S/C9H11NO4/c11-6-5-9(12)7-1-3-8(4-2-7)10(13)14/h1-4,9,11-12H,5-6H2
- InChI Key： MTRHTGYVJNOERG-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)[N+](=O)[O-])CCO
Computed Properties
- Exact Mass: 197.06880783g/mol
- Monoisotopic Mass: 197.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 184
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 86.3?2
1,3-Propanediol, 1-(4-nitrophenyl)- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
134250-58-1 (1,3-Propanediol, 1-(4-nitrophenyl)-) Related Products
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