Cas no 125414-52-0 (Carbamic acid,(1-formyl-1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)- (9CI))
125414-52-0 structure
Product Name:Carbamic acid,(1-formyl-1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)- (9CI)
CAS No:125414-52-0
MF:C10H15NO3
MW:197.231003046036
CID:103551
PubChem ID:14310898
Update Time:2025-04-18
Carbamic acid,(1-formyl-1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid,(1-formyl-1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)- (9CI)
- Carbamic acid, (1-formyl-1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)-
- TERT-BUTYL N-[(2R)-2-METHYL-1-OXOBUT-3-YN-2-YL]CARBAMATE
- 125414-52-0
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- Inchi： 1S/C10H15NO3/c1-6-10(5,7-12)11-8(13)14-9(2,3)4/h1,7H,2-5H3,(H,11,13)/t10-/m1/s1
- InChI Key： RWJZHLYGNXQELX-SNVBAGLBSA-N
- SMILES： O(C(N[C@](C#C)(C=O)C)=O)C(C)(C)C
Computed Properties
- Exact Mass: 197.10525
- Monoisotopic Mass: 197.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 282
- 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
- Topological Polar Surface Area: 55.4?2
Experimental Properties
- PSA: 55.4
Carbamic acid,(1-formyl-1-methyl-2-propynyl)-, 1,1-dimethylethyl ester, (R)- (9CI) Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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