Cas no 113201-27-7 (2-[(3,4-dimethylphenyl)methoxy]isoindole-1,3-dione)
113201-27-7 structure
Product Name:2-[(3,4-dimethylphenyl)methoxy]isoindole-1,3-dione
CAS No:113201-27-7
MF:C17H15NO3
MW:281.305904626846
CID:2610176
PubChem ID:71337043
Update Time:2025-04-21
2-[(3,4-dimethylphenyl)methoxy]isoindole-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-[(3,4-dimethylphenyl)methoxy]isoindole-1,3-dione
- 113201-27-7
- 2-[(3,4-Dimethylphenyl)methoxy]-1H-isoindole-1,3(2H)-dione
- DTXSID20764793
-
- Inchi: 1S/C17H15NO3/c1-11-7-8-13(9-12(11)2)10-21-18-16(19)14-5-3-4-6-15(14)17(18)20/h3-9H,10H2,1-2H3
- InChI Key: HRNOSNVSLSSUGX-UHFFFAOYSA-N
- SMILES: O(CC1C=CC(C)=C(C)C=1)N1C(C2C=CC=CC=2C1=O)=O
Computed Properties
- Exact Mass: 281.10519334Da
- Monoisotopic Mass: 281.10519334Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 398
- 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: 3.2
- Topological Polar Surface Area: 46.6?2
2-[(3,4-dimethylphenyl)methoxy]isoindole-1,3-dione Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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