Cas no 89898-49-7 ( )
structure
Product Name:
CAS No:89898-49-7
MF:C7H10O4
MW:158.151902675629
CID:994431
PubChem ID:332983
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 89898-49-7
- methyl 2-methyl-4-oxotetrahydrofuran-3-carboxylate
- METHYL 2-METHYL-4-OXO-OXOLANE-3-CARBOXYLATE
- NSC-332681
- KVDHLXBTYUCUCR-UHFFFAOYSA-N
- NSC332681
- DTXSID30318544
- SCHEMBL1299559
- AT41543
-
-
- Inchi： 1S/C7H10O4/c1-4-6(7(9)10-2)5(8)3-11-4/h4,6H,3H2,1-2H3
- InChI Key： KVDHLXBTYUCUCR-UHFFFAOYSA-N
- SMILES： O1CC(C(C(=O)OC)C1C)=O
Computed Properties
- Exact Mass: 158.058
- Monoisotopic Mass: 158.058
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 187
- 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
- XLogP3: 0.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- Density: 1.181
- Boiling Point: 226.8°C at 760 mmHg
- Flash Point: 93.3°C
- Refractive Index: 1.448
- PSA: 52.60000
- LogP: -0.23660
Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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