Cas no 90147-21-0 (2-Propenoic acid, 3-(5-nitro-2-furanyl)-, 1-methylethyl ester)
90147-21-0 structure
Product Name:2-Propenoic acid, 3-(5-nitro-2-furanyl)-, 1-methylethyl ester
CAS No:90147-21-0
MF:C10H11NO5
MW:225.198043107986
CID:994600
PubChem ID:5386114
Update Time:2025-04-20
2-Propenoic acid, 3-(5-nitro-2-furanyl)-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- propan-2-yl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
- 1-METHYLETHYL 3-(5-NITRO-2-FURANYL)-2-PROPENOATE
- NSC527469
- 1-(5-NO2-2-furyl)-2-(COO-iPr)ethylene
- DTXSID80875935
- Y4F5CB287Q
- NSC-527469
- 90147-21-0
- 2-Propenoic acid, 3-(5-nitro-2-furanyl)-, 1-methylethyl ester
-
- Inchi： 1S/C10H11NO5/c1-7(2)15-10(12)6-4-8-3-5-9(16-8)11(13)14/h3-7H,1-2H3/b6-4+
- InChI Key： GLLASCKJCAXNHF-GQCTYLIASA-N
- SMILES： O(C(/C=C/C1=CC=C([N+](=O)[O-])O1)=O)C(C)C
Computed Properties
- Exact Mass: 225.064
- Monoisotopic Mass: 225.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 294
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.6
- Topological Polar Surface Area: 85.3?2
Experimental Properties
- Density: 1.262
- Boiling Point: 324.5°C at 760 mmHg
- Flash Point: 150°C
- Refractive Index: 1.547
- PSA: 85.26000
- LogP: 2.67580
2-Propenoic acid, 3-(5-nitro-2-furanyl)-, 1-methylethyl ester Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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