Cas no 52921-20-7 (Acetic acid, isocyano-, 1-methylethyl ester)
52921-20-7 structure
Product Name:Acetic acid, isocyano-, 1-methylethyl ester
CAS No:52921-20-7
MF:C6H9NO2
MW:127.141161680222
CID:358469
PubChem ID:18953452
Update Time:2025-04-19
Acetic acid, isocyano-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, isocyano-, 1-methylethyl ester
- propan-2-yl 2-isocyanoacetate
- isopropyl isocyanoacetate
- ALNIEXDQXDKTMZ-UHFFFAOYSA-N
- DTXSID80596810
- 52921-20-7
- SCHEMBL7293622
- Propan-2-yl isocyanoacetate
-
- Inchi： 1S/C6H9NO2/c1-5(2)9-6(8)4-7-3/h5H,4H2,1-2H3
- InChI Key： ALNIEXDQXDKTMZ-UHFFFAOYSA-N
- SMILES： O(C(C[N+]#[C-])=O)C(C)C
Computed Properties
- Exact Mass: 127.06337
- Monoisotopic Mass: 127.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 142
- 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
- XLogP3: 0.8
- Topological Polar Surface Area: 30.7?2
Experimental Properties
- PSA: 30.66
Acetic acid, isocyano-, 1-methylethyl ester Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
52921-20-7 (Acetic acid, isocyano-, 1-methylethyl ester) Related Products
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