Cas no 107717-00-0 (5-Oxazolidinecarboxylicacid, 3-methyl-2-oxo-, (S)- (9CI))
107717-00-0 structure
Product Name:5-Oxazolidinecarboxylicacid, 3-methyl-2-oxo-, (S)- (9CI)
CAS No:107717-00-0
MF:C5H7NO4
MW:145.113381624222
CID:127663
PubChem ID:14443179
Update Time:2025-04-18
5-Oxazolidinecarboxylicacid, 3-methyl-2-oxo-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5-Oxazolidinecarboxylicacid, 3-methyl-2-oxo-, (S)- (9CI)
- 5-Oxazolidinecarboxylicacid,3-methyl-2-oxo-,(S)-(9CI)
- 107717-00-0
- SCHEMBL18306103
- (S)-3-methyl-2-oxooxazolidine-5-carboxylic acid
- (5S)-3-METHYL-2-OXO-1,3-OXAZOLIDINE-5-CARBOXYLIC ACID
-
- Inchi： 1S/C5H7NO4/c1-6-2-3(4(7)8)10-5(6)9/h3H,2H2,1H3,(H,7,8)/t3-/m0/s1
- InChI Key： KFZMXZYYLLBOKN-VKHMYHEASA-N
- SMILES： O1C(N(C)C[C@H]1C(=O)O)=O
Computed Properties
- Exact Mass: 145.03751
- Monoisotopic Mass: 145.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 179
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.84
5-Oxazolidinecarboxylicacid, 3-methyl-2-oxo-, (S)- (9CI) Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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