Cas no 68500-71-0 (1H-Pyrrole-2-carboxylic acid, 4,4'-methylenebis[3,5-dimethyl-)
68500-71-0 structure
Product Name:1H-Pyrrole-2-carboxylic acid, 4,4'-methylenebis[3,5-dimethyl-
CAS No:68500-71-0
MF:C15H18N2O4
MW:290.314424037933
CID:393113
PubChem ID:15899540
Update Time:2025-04-19
1H-Pyrrole-2-carboxylic acid, 4,4'-methylenebis[3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- 4-[(5-carboxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
- 68500-71-0
- DTXSID40579245
- 4,4'-Methylenebis(3,5-dimethyl-1H-pyrrole-2-carboxylic acid)
- 1H-Pyrrole-2-carboxylic acid, 4,4'-methylenebis[3,5-dimethyl-
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- Inchi： 1S/C15H18N2O4/c1-6-10(8(3)16-12(6)14(18)19)5-11-7(2)13(15(20)21)17-9(11)4/h16-17H,5H2,1-4H3,(H,18,19)(H,20,21)
- InChI Key： KMPWPYDEUUIGQX-UHFFFAOYSA-N
- SMILES： OC(C1=C(C)C(=C(C)N1)CC1=C(C)NC(C(=O)O)=C1C)=O
Computed Properties
- Exact Mass: 290.12674
- Monoisotopic Mass: 290.12665706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 390
- 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: 2.7
- Topological Polar Surface Area: 106?2
Experimental Properties
- PSA: 106.18
1H-Pyrrole-2-carboxylic acid, 4,4'-methylenebis[3,5-dimethyl- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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