Cas no 352311-30-9 (1H-Pyrrole-1-carboxylicacid,2,3-dihydro-5-methyl-,ethylester(9CI))
352311-30-9 structure
Product Name:1H-Pyrrole-1-carboxylicacid,2,3-dihydro-5-methyl-,ethylester(9CI)
CAS No:352311-30-9
MF:C8H13NO2
MW:155.194322347641
CID:1017742
PubChem ID:11147842
Update Time:2024-02-29
1H-Pyrrole-1-carboxylicacid,2,3-dihydro-5-methyl-,ethylester(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrrole-1-carboxylicacid,2,3-dihydro-5-methyl-,ethylester(9CI)
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- Inchi： 1S/C8H13NO2/c1-3-11-8(10)9-6-4-5-7(9)2/h5H,3-4,6H2,1-2H3
- InChI Key： ZVAJKKGHPIDQBH-UHFFFAOYSA-N
- SMILES： O(CC)C(N1C(C)=CCC1)=O
Computed Properties
- Exact Mass: 155.094628657g/mol
- Monoisotopic Mass: 155.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- 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: 1.3
- Topological Polar Surface Area: 29.5?2
1H-Pyrrole-1-carboxylicacid,2,3-dihydro-5-methyl-,ethylester(9CI) Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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