Cas no 73873-89-9 (Methanediol, (5-nitro-2-furanyl)-)
73873-89-9 structure
Product Name:Methanediol, (5-nitro-2-furanyl)-
CAS No:73873-89-9
MF:C5H5NO5
MW:159.096901655197
CID:541861
PubChem ID:54369156
Update Time:2025-04-19
Methanediol, (5-nitro-2-furanyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanediol, (5-nitro-2-furanyl)-
- (5-nitrofuran-2-yl)methanediol
- SCHEMBL7038633
- DTXSID30710887
- 73873-89-9
-
- Inchi： 1S/C5H5NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,5,7-8H
- InChI Key： URXRVIVNJLUHFJ-UHFFFAOYSA-N
- SMILES： O1C(=CC=C1C(O)O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 159.01677226g/mol
- Monoisotopic Mass: 159.01677226g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 153
- 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: -0.1
- Topological Polar Surface Area: 99.4?2
Methanediol, (5-nitro-2-furanyl)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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