Cas no 24445-13-4 (Ethanone,1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]-)
![Ethanone,1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]- structure](https://ossimg.kuujia.com/scimg/24500/24445-13-4x500.png)
24445-13-4 structure
Product Name:Ethanone,1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]-
CAS No:24445-13-4
MF:C7H9NO2
MW:139.151861906052
CID:258491
PubChem ID:100243
Update Time:2025-04-19
Ethanone,1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]-
- 1-(4-(Hydroxymethyl)-1H-pyrrol-3-yl)ethanone
- 1-(4-hydroxymethyl-pyrrol-3-yl)-ethanone
- 3-Acetyl-4-hydroxymethylpyrrol
- 3-Acetyl-4-hydroxymethyl-pyrrol
- 4-Acetyl-3-hydroxymethylpyrrole
- AC1L2ODJ
- CTK8H7897
- NSC270675
- Verrucarin E
- AKOS006347276
- Ethanone, 1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]-
- CHEMBL1966107
- 24445-13-4
- Ethanone, 1-(4-(hydroxymethyl)-1H-pyrrol-3-yl)-
- UNII-M8M1G6524E
- 1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]ethanone
- Q27283654
- NCI60_002213
- M8M1G6524E
- NSC 270675
- NSC-270675
- DTXSID00179205
-
- Inchi： 1S/C7H9NO2/c1-5(10)7-3-8-2-6(7)4-9/h2-3,8-9H,4H2,1H3
- InChI Key： ZCTFIKLDSSVBAL-UHFFFAOYSA-N
- SMILES： OCC1=CNC=C1C(C)=O
Computed Properties
- Exact Mass: 139.06337
- Monoisotopic Mass: 139.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- 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
- XLogP3: -0.5
- Topological Polar Surface Area: 53.1?2
Experimental Properties
- PSA: 53.09
Ethanone,1-[4-(hydroxymethyl)-1H-pyrrol-3-yl]- Related Literature
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Yan-duo Wang,Yuan-yuan Li,Xiang-mei Tan,Lin Chen,Zhong-qi Wei,Li Shen,Gang Ding RSC Adv. 2020 10 23969
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Alessio Cimmino,Marco Masi,Marco Evidente,Stefano Superchi,Antonio Evidente Nat. Prod. Rep. 2015 32 1629
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Antonio Evidente,Alexander Kornienko,Alessio Cimmino,Anna Andolfi,Florence Lefranc,Véronique Mathieu,Robert Kiss Nat. Prod. Rep. 2014 31 617
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Rajni Khajuria,Sumita Dham,Kamal K. Kapoor RSC Adv. 2016 6 37039
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Timothy D. H. Bugg,Christopher J. Winfield Nat. Prod. Rep. 1998 15 513
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