Cas no 65613-23-2 (1H-Pyrrole-2-carboxaldehyde, 3-ethynyl-4,5-dimethyl- (9CI))
65613-23-2 structure
Product Name:1H-Pyrrole-2-carboxaldehyde, 3-ethynyl-4,5-dimethyl- (9CI)
CAS No:65613-23-2
MF:C9H9NO
MW:147.173862218857
CID:1017788
PubChem ID:12385778
Update Time:2025-04-20
1H-Pyrrole-2-carboxaldehyde, 3-ethynyl-4,5-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxaldehyde, 3-ethynyl-4,5-dimethyl- (9CI)
- 1H-Pyrrole-2-carboxaldehyde, 3-ethynyl-4,5-dimethyl-
- 65613-23-2
- DB-279829
-
- Inchi： 1S/C9H9NO/c1-4-8-6(2)7(3)10-9(8)5-11/h1,5,10H,2-3H3
- InChI Key： XXYVADWLFNPSPY-UHFFFAOYSA-N
- SMILES： O=CC1=C(C#C)C(C)=C(C)N1
Computed Properties
- Exact Mass: 147.068413911g/mol
- 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
1H-Pyrrole-2-carboxaldehyde, 3-ethynyl-4,5-dimethyl- (9CI) Related Literature
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1. 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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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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