Cas no 72987-57-6 (2-Propenoic acid,3-(2-furanyl)-, 1-methylethyl ester)
72987-57-6 structure
Product Name:2-Propenoic acid,3-(2-furanyl)-, 1-methylethyl ester
CAS No:72987-57-6
MF:C10H12O3
MW:180.200483322144
CID:565256
PubChem ID:909932
Update Time:2025-04-19
2-Propenoic acid,3-(2-furanyl)-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-(2-furanyl)-, 1-methylethyl ester
- isopropyl 3-(2-furyl)acrylate
- Isopropyl 3-(2-furanyl)acrylate
- Isopropyl beta-2-furylacrylate
- propan-2-yl (2E)-3-(furan-2-yl)prop-2-enoate
- EINECS 277-187-2
- DTXSID2072700
- ASFDSPFXJFSSEX-AATRIKPKSA-N
- 2-Propenoic acid, 3-(2-furanyl)-, 1-methylethyl ester
- AKOS005459387
- SCHEMBL23175323
- (E)-3-Furan-2-yl-acrylic acid isopropyl ester
- SCHEMBL336288
- Isopropyl 3-(furan-2-yl)acrylate
- Isopropyl (E)-3-furan-2-ylacrylate
- 72987-57-6
- NS00037455
-
- Inchi： 1S/C10H12O3/c1-8(2)13-10(11)6-5-9-4-3-7-12-9/h3-8H,1-2H3/b6-5+
- InChI Key： ASFDSPFXJFSSEX-AATRIKPKSA-N
- SMILES： O(C(/C=C/C1=CC=CO1)=O)C(C)C
Computed Properties
- Exact Mass: 180.07866
- Monoisotopic Mass: 180.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 196
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- Density: 1.081
- Boiling Point: 247.3°C at 760 mmHg
- Flash Point: 103.4°C
- Refractive Index: 1.513
- PSA: 39.44
2-Propenoic acid,3-(2-furanyl)-, 1-methylethyl ester Related Literature
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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