Cas no 61149-53-9 (1H-Indole-2-carboxylic acid, 5-methyl-4-nitro-)
61149-53-9 structure
Product Name:1H-Indole-2-carboxylic acid, 5-methyl-4-nitro-
CAS No:61149-53-9
MF:C10H8N2O4
MW:220.181522369385
CID:490575
PubChem ID:12301120
Update Time:2025-04-19
1H-Indole-2-carboxylic acid, 5-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylic acid, 5-methyl-4-nitro-
- 5-methyl-4-nitro-1H-indole-2-carboxylic acid
- DTXSID30486434
- 61149-53-9
-
- Inchi： 1S/C10H8N2O4/c1-5-2-3-7-6(9(5)12(15)16)4-8(11-7)10(13)14/h2-4,11H,1H3,(H,13,14)
- InChI Key： RIJPZVNQBYQOLO-UHFFFAOYSA-N
- SMILES： OC(C1=CC2C(=C(C)C=CC=2N1)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 220.04844
- Monoisotopic Mass: 220.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 314
- 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: 2.1
- Topological Polar Surface Area: 98.9?2
Experimental Properties
- PSA: 96.23
1H-Indole-2-carboxylic acid, 5-methyl-4-nitro- Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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