Cas no 110910-76-4 (1H-Pyrrole-1-carboxylicacid,2,3-dihydro-,2-propenylester(9CI))
110910-76-4 structure
Product Name:1H-Pyrrole-1-carboxylicacid,2,3-dihydro-,2-propenylester(9CI)
CAS No:110910-76-4
MF:C8H11NO2
MW:153.178442239761
CID:129011
PubChem ID:13861609
Update Time:2024-02-29
1H-Pyrrole-1-carboxylicacid,2,3-dihydro-,2-propenylester(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-1-carboxylicacid, 2,3-dihydro-, 2-propen-1-yl ester
- 1H-Pyrrole-1-carboxylicacid,2,3-dihydro-,2-propenylester(9CI)
- allyl 2,3-dihydro-1H-pyrrole-1-carboxylate
- 1H-Pyrrole-1-carboxylic acid, 2,3-dihydro-, 2-propen-1-yl ester
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- Inchi： 1S/C8H11NO2/c1-2-7-11-8(10)9-5-3-4-6-9/h2-3,5H,1,4,6-7H2
- InChI Key： TWRRIXFIIWJKKT-UHFFFAOYSA-N
- SMILES： N1(C(OCC=C)=O)C=CCC1
Computed Properties
- Exact Mass: 153.078978594g/mol
- Monoisotopic Mass: 153.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 187
- 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: 1.2
- Topological Polar Surface Area: 29.5?2
1H-Pyrrole-1-carboxylicacid,2,3-dihydro-,2-propenylester(9CI) Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Attila N. Lázár,Derek Clarke,Helen Adams,Abdur Razzaque Akanda,Sylvia Szabo,Robert J. Nicholls,Zoe Matthews,Dilruba Begum,Abul Fazal M. Saleh,Md. Anwarul Abedin,Andres Payo,Peter Kim Streatfield,Craig Hutton,M. Shahjahan Mondal,Abu Zofar Md. Moslehuddin Environ. Sci.: Processes Impacts, 2015,17, 1018-1031
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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