Cas no 758675-13-7 (2(3H)-Furanone,3-aminodihydro-3-methyl-, (3S)-)
758675-13-7 structure
Product Name:2(3H)-Furanone,3-aminodihydro-3-methyl-, (3S)-
CAS No:758675-13-7
MF:C5H9NO2
MW:115.130461454391
CID:549608
PubChem ID:23562297
Update Time:2025-04-19
2(3H)-Furanone,3-aminodihydro-3-methyl-, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Furanone,3-aminodihydro-3-methyl-, (3S)-
- 2(3H)-Furanone,3-aminodihydro-3-methyl-,(3S)-(9CI)
- SCHEMBL3814729
- 758675-13-7
-
- Inchi： 1S/C5H9NO2/c1-5(6)2-3-8-4(5)7/h2-3,6H2,1H3/t5-/m0/s1
- InChI Key： JQSYTXVDEHQTNZ-YFKPBYRVSA-N
- SMILES： O1C([C@](C)(CC1)N)=O
Computed Properties
- Exact Mass: 115.06300
- Monoisotopic Mass: 115.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 333
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 7
- XLogP3: 4
- Topological Polar Surface Area: 52.3A^2
Experimental Properties
- PSA: 52.32000
- LogP: 0.35100
2(3H)-Furanone,3-aminodihydro-3-methyl-, (3S)- Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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