Cas no 75631-81-1 (5-nitro-2-acetoxy-2,5-dihydrofurfural diacetate)
75631-81-1 structure
Product Name:5-nitro-2-acetoxy-2,5-dihydrofurfural diacetate
CAS No:75631-81-1
MF:C11H13NO9
MW:303.222223997116
CID:862209
PubChem ID:144739
Update Time:2025-04-19
5-nitro-2-acetoxy-2,5-dihydrofurfural diacetate Chemical and Physical Properties
Names and Identifiers
-
- 5-nitro-2-acetoxy-2,5-dihydrofurfural diacetate
- 2,5-Dihydro-2-hydroxy-5-nitro-2-furanmethanediol-d3Triacetate
- 75631-81-1
- 5904-70-1
- DTXSID00997067
- [2-(Acetyloxy)-5-nitro-2,5-dihydrofuran-2-yl]methylene diacetate
- 2,5-Dihydro-2-hydroxy-5-nitro-2-furanmethanediol Triacetate
- [acetyloxy-(5-acetyloxy-2-nitro-2H-furan-5-yl)methyl] acetate
- FT-0667019
-
- Inchi： 1S/C11H13NO9/c1-6(13)18-10(19-7(2)14)11(20-8(3)15)5-4-9(21-11)12(16)17/h4-5,9-10H,1-3H3
- InChI Key： OQQARHHKPBGAGA-UHFFFAOYSA-N
- SMILES： O1C(C=CC1(C(OC(C)=O)OC(C)=O)OC(C)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 321.06955
- Monoisotopic Mass: 303.059031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 478
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 134
- XLogP3: 0.2
Experimental Properties
- Density: 1.41
- Boiling Point: 420.2°C at 760 mmHg
- Flash Point: 182.4°C
- Refractive Index: 1.509
- PSA: 170.34
5-nitro-2-acetoxy-2,5-dihydrofurfural diacetate Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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