Cas no 220371-24-4 ([2,2-Bi-1H-pyrrole]-4-carboxaldehyde (9CI))
![[2,2-Bi-1H-pyrrole]-4-carboxaldehyde (9CI) structure](https://ossimg.kuujia.com/scimg/220500/220371-24-4x500.png)
220371-24-4 structure
Product Name:[2,2-Bi-1H-pyrrole]-4-carboxaldehyde (9CI)
CAS No:220371-24-4
MF:C9H8N2O
MW:160.17262172699
CID:243924
PubChem ID:15832032
Update Time:2025-04-19
[2,2-Bi-1H-pyrrole]-4-carboxaldehyde (9CI) Chemical and Physical Properties
Names and Identifiers
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- [2,2-Bi-1H-pyrrole]-4-carboxaldehyde (9CI)
- 5-(1H-pyrrol-2-yl)-1H-pyrrole-3-carbaldehyde
- DTXSID90578703
- 220371-24-4
- 1H,1'H-[2,2'-Bipyrrole]-4-carbaldehyde
- [2,2-Bi-1H-pyrrole]-4-carboxaldehyde(9ci)
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- Inchi： 1S/C9H8N2O/c12-6-7-4-9(11-5-7)8-2-1-3-10-8/h1-6,10-11H
- InChI Key： QIANXWZQRAOBNF-UHFFFAOYSA-N
- SMILES： O=CC1=CNC(=C1)C1=CC=CN1
Computed Properties
- Exact Mass: 160.06374
- Monoisotopic Mass: 160.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 48.6?2
Experimental Properties
- PSA: 48.65
[2,2-Bi-1H-pyrrole]-4-carboxaldehyde (9CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
220371-24-4 ([2,2-Bi-1H-pyrrole]-4-carboxaldehyde (9CI)) Related Products
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