Cas no 10163-09-4 (5H-Pyrano[3,2-d]oxazol-2(1H)-one,6,7-bis(acetyloxy)-5-[(acetyloxy)methyl]tetrahydro-)
![5H-Pyrano[3,2-d]oxazol-2(1H)-one,6,7-bis(acetyloxy)-5-[(acetyloxy)methyl]tetrahydro- structure](https://ossimg.kuujia.com/scimg/10500/10163-09-4x500.png)
10163-09-4 structure
Product Name:5H-Pyrano[3,2-d]oxazol-2(1H)-one,6,7-bis(acetyloxy)-5-[(acetyloxy)methyl]tetrahydro-
CAS No:10163-09-4
MF:C13H17NO9
MW:331.275384664536
CID:224649
PubChem ID:348069
Update Time:2025-04-19
5H-Pyrano[3,2-d]oxazol-2(1H)-one,6,7-bis(acetyloxy)-5-[(acetyloxy)methyl]tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 5H-Pyrano[3,2-d]oxazol-2(1H)-one,6,7-bis(acetyloxy)-5-[(acetyloxy)methyl]tetrahydro-
- (6,7-diacetyloxy-2-oxo-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]oxazol-5-yl)methyl acetate
- NSC407103
- NSC-407103
- (3aR,5R,6R,7R,7aR)-5-(Acetoxymethyl)-2-oxohexahydro-1H-pyrano[3,2-d]oxazole-6,7-diyl Diacetate
- DTXSID20324573
- 10163-09-4
- SY312360
-
- Inchi： 1S/C13H17NO9/c1-5(15)19-4-8-10(20-6(2)16)11(21-7(3)17)9-12(22-8)23-13(18)14-9/h8-12H,4H2,1-3H3,(H,14,18)
- InChI Key： KWCILQJRTBMYNM-UHFFFAOYSA-N
- SMILES： O1C(COC(C)=O)C(C(C2C1OC(N2)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 331.09031
- Monoisotopic Mass: 331.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 520
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.6
- Topological Polar Surface Area: 127?2
Experimental Properties
- Density: 1.4
- Boiling Point: 522.5°C at 760 mmHg
- Flash Point: 269.8°C
- Refractive Index: 1.514
- PSA: 126.46
- LogP: -0.42500
5H-Pyrano[3,2-d]oxazol-2(1H)-one,6,7-bis(acetyloxy)-5-[(acetyloxy)methyl]tetrahydro- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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