Cas no 750559-12-7 (1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)-)
750559-12-7 structure
Product Name:1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)-
CAS No:750559-12-7
MF:C8H11NO2
MW:153.178442239761
CID:561581
PubChem ID:45091812
Update Time:2024-03-01
1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)-
- 1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)-(9CI)
- 1H-Pyrrole, 2-(2-methyl-1,3-dioxolan-2-yl)-
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- Inchi: 1S/C8H11NO2/c1-8(10-5-6-11-8)7-3-2-4-9-7/h2-4,9H,5-6H2,1H3
- InChI Key: SHTVLQSPNNGSNV-UHFFFAOYSA-N
- SMILES: N1C=CC=C1C1(C)OCCO1
Computed Properties
- Exact Mass: 153.079
- Monoisotopic Mass: 153.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 143
- 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
- Topological Polar Surface Area: 34.2A^2
- XLogP3: 0.3
1H-Pyrrole,2-(2-methyl-1,3-dioxolan-2-yl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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