Cas no 51988-39-7 (Carbamic acid, (tetrahydro-2-oxo-3-furanyl)-, 2-methylpropyl ester)
51988-39-7 structure
Product Name:Carbamic acid, (tetrahydro-2-oxo-3-furanyl)-, 2-methylpropyl ester
CAS No:51988-39-7
MF:C9H15NO4
MW:201.219702959061
CID:360924
PubChem ID:21524720
Update Time:2025-04-19
Carbamic acid, (tetrahydro-2-oxo-3-furanyl)-, 2-methylpropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, (tetrahydro-2-oxo-3-furanyl)-, 2-methylpropyl ester
- 2-methylpropyl N-(2-oxooxolan-3-yl)carbamate
- 51988-39-7
- isobutyl (2-oxotetrahydrofuran-3-yl)carbamate
- 2-Methylpropyl (2-oxooxolan-3-yl)carbamate
- SCHEMBL11839775
- DTXSID50615567
-
- Inchi： 1S/C9H15NO4/c1-6(2)5-14-9(12)10-7-3-4-13-8(7)11/h6-7H,3-5H2,1-2H3,(H,10,12)
- InChI Key： DAWVUXYZJOAKJI-UHFFFAOYSA-N
- SMILES： O1C(C(CC1)NC(=O)OCC(C)C)=O
Computed Properties
- Exact Mass: 201.10015
- Monoisotopic Mass: 201.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 227
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 64.6?2
Experimental Properties
- PSA: 64.63
Carbamic acid, (tetrahydro-2-oxo-3-furanyl)-, 2-methylpropyl ester Related Literature
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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