Cas no 683273-83-8 (1-Pyrrolecarboxylicacid,isopropylester(5CI))
683273-83-8 structure
Product Name:1-Pyrrolecarboxylicacid,isopropylester(5CI)
CAS No:683273-83-8
MF:C8H11NO2
MW:153.178442239761
CID:970112
PubChem ID:121227116
Update Time:2025-04-19
1-Pyrrolecarboxylicacid,isopropylester(5CI) Chemical and Physical Properties
Names and Identifiers
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- 1-Pyrrolecarboxylicacid,isopropylester(5CI)
- 683273-83-8
- SCHEMBL23418624
- Isopropyl 1H-pyrrole-1-carboxylate
-
- Inchi： 1S/C8H11NO2/c1-7(2)11-8(10)9-5-3-4-6-9/h3-7H,1-2H3
- InChI Key： JIMLXPYENCLBBO-UHFFFAOYSA-N
- SMILES： O(C(N1C=CC=C1)=O)C(C)C
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: 2
- Complexity: 139
- 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: 1.7
- Topological Polar Surface Area: 31.2?2
1-Pyrrolecarboxylicacid,isopropylester(5CI) Related Literature
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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