Cas no 120881-97-2 (Carbamic acid,(1-methyl-2-oxo-3-butenyl)-, 1,1-dimethylethyl ester, (R)- (9CI))
120881-97-2 structure
Product Name:Carbamic acid,(1-methyl-2-oxo-3-butenyl)-, 1,1-dimethylethyl ester, (R)- (9CI)
CAS No:120881-97-2
MF:C10H17NO3
MW:199.246883153915
CID:104865
PubChem ID:14541319
Update Time:2025-04-18
Carbamic acid,(1-methyl-2-oxo-3-butenyl)-, 1,1-dimethylethyl ester, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid,(1-methyl-2-oxo-3-butenyl)-, 1,1-dimethylethyl ester, (R)- (9CI)
- 120881-97-2
- Tert-butyl N-[(2R)-3-oxopent-4-en-2-yl]carbamate
- Carbamic acid, (1-methyl-2-oxo-3-butenyl)-, 1,1-dimethylethyl ester, (R)- (9CI)
- Carbamic acid,(1-methyl-2-oxo-3-butenyl)-,1,1-dimethylethyl ester,(R)-(9ci)
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- Inchi： 1S/C10H17NO3/c1-6-8(12)7(2)11-9(13)14-10(3,4)5/h6-7H,1H2,2-5H3,(H,11,13)/t7-/m1/s1
- InChI Key： TUQPRWAHCDKMKC-SSDOTTSWSA-N
- SMILES： O(C(N[C@@H](C(C=C)=O)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 199.12091
- Monoisotopic Mass: 199.12084340g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 240
- 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: 1.7
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- PSA: 55.4
Carbamic acid,(1-methyl-2-oxo-3-butenyl)-, 1,1-dimethylethyl ester, (R)- (9CI) Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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