Cas no 55750-51-1 (1H-Pyrrole-1-carboxylicacid, 2,5-dihydro-2,5-dioxo-, phenylmethyl ester)
55750-51-1 structure
Product Name:1H-Pyrrole-1-carboxylicacid, 2,5-dihydro-2,5-dioxo-, phenylmethyl ester
CAS No:55750-51-1
MF:C12H9NO4
MW:231.204163312912
CID:377844
PubChem ID:3016993
Update Time:2025-04-19
1H-Pyrrole-1-carboxylicacid, 2,5-dihydro-2,5-dioxo-, phenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-carboxylicacid, 2,5-dihydro-2,5-dioxo-, phenylmethyl ester
- benzyl 2,5-dihydro-2,5-dioxo-1H-pyrrole-1-carboxylate
- benzyl 2,5-dioxopyrrole-1-carboxylate
- benzyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate
- 1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-2,5-dioxo-, phenylmethyl ester
- Phenylmethyl 2,5-dihydro-2,5-dioxo-1H-pyrrole-1-carboxylate
- 55750-51-1
- NS00033386
- DTXSID30204312
- X6X7UE45H5
- EINECS 259-793-9
- SCHEMBL19984711
- AMY497
-
- Inchi： 1S/C12H9NO4/c14-10-6-7-11(15)13(10)12(16)17-8-9-4-2-1-3-5-9/h1-7H,8H2
- InChI Key： FACGDKXRLCOWHU-UHFFFAOYSA-N
- SMILES： O(C(N1C(C=CC1=O)=O)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 231.05317
- Monoisotopic Mass: 231.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 351
- 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: 1.2
- Topological Polar Surface Area: 63.7?2
Experimental Properties
- Density: 1.406
- Boiling Point: 372.7°Cat760mmHg
- Flash Point: 179.2°C
- Refractive Index: 1.614
- PSA: 63.68
1H-Pyrrole-1-carboxylicacid, 2,5-dihydro-2,5-dioxo-, phenylmethyl ester Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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