Cas no 24445-12-3 (Ethanone,1-[1-(hydroxymethyl)-1H-pyrrol-3-yl]-)
![Ethanone,1-[1-(hydroxymethyl)-1H-pyrrol-3-yl]- structure](https://ossimg.kuujia.com/scimg/24500/24445-12-3x500.png)
24445-12-3 structure
Product Name:Ethanone,1-[1-(hydroxymethyl)-1H-pyrrol-3-yl]-
CAS No:24445-12-3
MF:C7H9NO2
MW:139.151861906052
CID:240647
PubChem ID:121226817
Update Time:2025-04-19
Ethanone,1-[1-(hydroxymethyl)-1H-pyrrol-3-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[1-(hydroxymethyl)-1H-pyrrol-3-yl]-
- Ketone,1-(hydroxymethyl)pyrrol-3-yl methyl (8CI)
- 1-(1-(Hydroxymethyl)-1H-pyrrol-3-yl)ethanone
- 24445-12-3
-
- Inchi： 1S/C7H9NO2/c1-6(10)7-2-3-8(4-7)5-9/h2-4,9H,5H2,1H3
- InChI Key： RVGAIBNXYLXZEU-UHFFFAOYSA-N
- SMILES： OCN1C=CC(C(C)=O)=C1
Computed Properties
- Exact Mass: 139.06337
- Monoisotopic Mass: 139.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 136
- 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
- Topological Polar Surface Area: 42.2A^2
- XLogP3: -0.3
Experimental Properties
- PSA: 42.23
Ethanone,1-[1-(hydroxymethyl)-1H-pyrrol-3-yl]- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
24445-12-3 (Ethanone,1-[1-(hydroxymethyl)-1H-pyrrol-3-yl]-) Related Products
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