Cas no 250253-82-8 (1H-Pyrrole-2-carboxaldehyde,5-ethynyl-3,4-dimethyl-)
250253-82-8 structure
Product Name:1H-Pyrrole-2-carboxaldehyde,5-ethynyl-3,4-dimethyl-
CAS No:250253-82-8
MF:C9H9NO
MW:147.173862218857
CID:246257
PubChem ID:10654357
Update Time:2025-04-19
1H-Pyrrole-2-carboxaldehyde,5-ethynyl-3,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxaldehyde,5-ethynyl-3,4-dimethyl-
- 1H-Pyrrole-2-carboxaldehyde, 5-ethynyl-3,4-dimethyl- (9CI)
- 250253-82-8
- 5-ethynyl-3,4-dimethyl-1H-pyrrole-2-carbaldehyde
- AKOS006307926
-
- Inchi： 1S/C9H9NO/c1-4-8-6(2)7(3)9(5-11)10-8/h1,5,10H,2-3H3
- InChI Key： NXHUAPUCITTYBZ-UHFFFAOYSA-N
- SMILES： O=CC1=C(C)C(C)=C(C#C)N1
Computed Properties
- Exact Mass: 147.06847
- Monoisotopic Mass: 147.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 203
- 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: 1.5
- Topological Polar Surface Area: 32.9?2
Experimental Properties
- PSA: 32.86
1H-Pyrrole-2-carboxaldehyde,5-ethynyl-3,4-dimethyl- Related Literature
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1. 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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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
250253-82-8 (1H-Pyrrole-2-carboxaldehyde,5-ethynyl-3,4-dimethyl-) Related Products
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