Cas no 90271-24-2 (2-Furoicacid,tetrahydro-4-methoxy-,methylester(7CI))
90271-24-2 structure
Product Name:2-Furoicacid,tetrahydro-4-methoxy-,methylester(7CI)
CAS No:90271-24-2
MF:C7H12O4
MW:160.167782783508
CID:798181
Update Time:2023-03-27
2-Furoicacid,tetrahydro-4-methoxy-,methylester(7CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Furoic acid,tetrahydro-4-methoxy-, methyl ester (7CI)
- 2-Furoicacid,tetrahydro-4-methoxy-,methylester(7CI)
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- Inchi： 1S/C7H12O4/c1-9-5-3-6(11-4-5)7(8)10-2/h5-6H,3-4H2,1-2H3
- InChI Key： FWKSZKPRWCNNOS-UHFFFAOYSA-N
- SMILES： O1CC(OC)CC1C(OC)=O
Computed Properties
- Exact Mass: 160.074
- Monoisotopic Mass: 160.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 145
- 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
- Topological Polar Surface Area: 44.8A^2
2-Furoicacid,tetrahydro-4-methoxy-,methylester(7CI) Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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