Cas no 2199-61-3 (1H-Pyrrole-2,4-dicarboxaldehyde,3,5-dimethyl-)
2199-61-3 structure
Product Name:1H-Pyrrole-2,4-dicarboxaldehyde,3,5-dimethyl-
CAS No:2199-61-3
MF:C8H9NO2
MW:151.162562131882
CID:249984
PubChem ID:21441333
Update Time:2025-04-19
1H-Pyrrole-2,4-dicarboxaldehyde,3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2,4-dicarboxaldehyde,3,5-dimethyl-
- Pyrrole-2,4-dicarboxaldehyde,3,5-dimethyl- (6CI,7CI,8CI)
- SCHEMBL11761527
- 3,5-dimethyl-1H-pyrrole-2,4-dicarbaldehyde
- 2199-61-3
- Pyrrole-2,4-dicarboxaldehyde, 3,5-dimethyl- (6CI,7CI,8CI)
-
- Inchi： 1S/C8H9NO2/c1-5-7(3-10)6(2)9-8(5)4-11/h3-4,9H,1-2H3
- InChI Key： WTWKGCMVMTZODO-UHFFFAOYSA-N
- SMILES： O=CC1=C(C)NC(C=O)=C1C
Computed Properties
- Exact Mass: 151.063
- Monoisotopic Mass: 151.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 0.7
- Topological Polar Surface Area: 49.9A^2
Experimental Properties
- PSA: 49.93000
- LogP: 1.25650
1H-Pyrrole-2,4-dicarboxaldehyde,3,5-dimethyl- Related Literature
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1. 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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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
2199-61-3 (1H-Pyrrole-2,4-dicarboxaldehyde,3,5-dimethyl-) Related Products
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