Cas no 59163-43-8 ([butanoyloxy-(5-nitrofuran-2-yl)methyl] Butanoate)
![[butanoyloxy-(5-nitrofuran-2-yl)methyl] Butanoate structure](https://ossimg.kuujia.com/scimg/59500/59163-43-8x500.png)
59163-43-8 structure
Product Name:[butanoyloxy-(5-nitrofuran-2-yl)methyl] Butanoate
CAS No:59163-43-8
MF:C13H17NO7
MW:299.276584386826
CID:949746
PubChem ID:348954
Update Time:2025-04-19
[butanoyloxy-(5-nitrofuran-2-yl)methyl] Butanoate Chemical and Physical Properties
Names and Identifiers
-
- [butanoyloxy-(5-nitrofuran-2-yl)methyl] Butanoate
- AC1L8AF8
- NCI60_003921
- NSC408483
- NSC-408483
- 59163-43-8
- CHEMBL1964699
- DTXSID80325066
- (5-Nitrofuran-2-yl)methylene dibutanoate
-
- Inchi： 1S/C13H17NO7/c1-3-5-11(15)20-13(21-12(16)6-4-2)9-7-8-10(19-9)14(17)18/h7-8,13H,3-6H2,1-2H3
- InChI Key： OAPNBKYSIKPKAZ-UHFFFAOYSA-N
- SMILES： O(C(CCC)=O)C(C1=CC=C([N+](=O)[O-])O1)OC(CCC)=O
Computed Properties
- Exact Mass: 299.10051
- Monoisotopic Mass: 299.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 9
- Complexity: 359
- 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: 2.7
- Topological Polar Surface Area: 112?2
Experimental Properties
- Density: 1.246
- Boiling Point: 369.2°C at 760 mmHg
- Flash Point: 177.1°C
- Refractive Index: 1.499
- PSA: 108.88
- LogP: 3.39620
[butanoyloxy-(5-nitrofuran-2-yl)methyl] Butanoate Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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