Cas no 918667-50-2 (1H-Pyrrole-2-carboxylic acid, 1-(2-ethylphenyl)-)
918667-50-2 structure
Product Name:1H-Pyrrole-2-carboxylic acid, 1-(2-ethylphenyl)-
CAS No:918667-50-2
MF:C13H13NO2
MW:215.247823476791
CID:771604
PubChem ID:43477028
Update Time:2025-04-19
1H-Pyrrole-2-carboxylic acid, 1-(2-ethylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxylic acid, 1-(2-ethylphenyl)-
- 1-(2-ethylphenyl)pyrrole-2-carboxylic acid
- SCHEMBL4543818
- DTXSID60656082
- 918667-50-2
- 1-(2-ethylphenyl)-1h-pyrrole-2-carboxylic acid
-
- Inchi： 1S/C13H13NO2/c1-2-10-6-3-4-7-11(10)14-9-5-8-12(14)13(15)16/h3-9H,2H2,1H3,(H,15,16)
- InChI Key： HQYDTAYUUFUJCB-UHFFFAOYSA-N
- SMILES： OC(C1=CC=CN1C1C=CC=CC=1CC)=O
Computed Properties
- Exact Mass: 215.094628657g/mol
- Monoisotopic Mass: 215.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 254
- 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: 3
- Topological Polar Surface Area: 42.2?2
1H-Pyrrole-2-carboxylic acid, 1-(2-ethylphenyl)- Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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