Cas no 4117-23-1 (Proline, 4-hydroxy-,acetate (ester) (8CI))
4117-23-1 structure
Product Name:Proline, 4-hydroxy-,acetate (ester) (8CI)
CAS No:4117-23-1
MF:C7H11NO4
MW:173.166542291641
CID:325002
PubChem ID:54164779
Update Time:2024-02-29
Proline, 4-hydroxy-,acetate (ester) (8CI) Chemical and Physical Properties
Names and Identifiers
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- Proline, 4-hydroxy-,acetate (ester) (8CI)
- Proline,4-hydroxy-, acetate (7CI)
- Proline, 4-hydroxy-, acetate (ester) (8CI)
- (2S)-4-Acetoxypyrrolidine-2-carboxylic acid
-
- Inchi： 1S/C7H11NO4/c1-4(9)12-5-2-6(7(10)11)8-3-5/h5-6,8H,2-3H2,1H3,(H,10,11)/t5?,6-/m0/s1
- InChI Key： OQWHXHYZFMIILA-GDVGLLTNSA-N
- SMILES： C(O)(=O)[C@@H]1CC(OC(=O)C)CN1
Computed Properties
- Exact Mass: 173.069
- Monoisotopic Mass: 173.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 138
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 6
- XLogP3: nothing
- Topological Polar Surface Area: 75.6?2
Experimental Properties
- Density: 1.3
- Boiling Point: 311.8°C at 760 mmHg
- Flash Point: 142.4°C
- Refractive Index: 1.505
Proline, 4-hydroxy-,acetate (ester) (8CI) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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