Cas no 87547-15-7 (6-Quinolineacetic acid, 1,2-dihydro-2,2-dimethyl-, ethyl ester)
87547-15-7 structure
Product Name:6-Quinolineacetic acid, 1,2-dihydro-2,2-dimethyl-, ethyl ester
CAS No:87547-15-7
MF:C15H17NO2
MW:243.300984144211
CID:655232
PubChem ID:127257816
Update Time:2025-04-19
6-Quinolineacetic acid, 1,2-dihydro-2,2-dimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 6-Quinolineacetic acid, 1,2-dihydro-2,2-dimethyl-, ethyl ester
- ethyl 2-(2,2-dimethyl-1H-quinolin-6-yl)acetate
- Isobutyl 2-(quinolin-6-yl)acetate
- 87547-15-7
-
- Inchi： 1S/C15H17NO2/c1-11(2)10-18-15(17)9-12-5-6-14-13(8-12)4-3-7-16-14/h3-8,11H,9-10H2,1-2H3
- InChI Key： VGUWOPDPSIPIEQ-UHFFFAOYSA-N
- SMILES： O(C(CC1C=CC2C(=CC=CN=2)C=1)=O)CC(C)C
Computed Properties
- Exact Mass: 243.125928785g/mol
- Monoisotopic Mass: 243.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 278
- 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: 3.3
- Topological Polar Surface Area: 39.2?2
6-Quinolineacetic acid, 1,2-dihydro-2,2-dimethyl-, ethyl ester Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
87547-15-7 (6-Quinolineacetic acid, 1,2-dihydro-2,2-dimethyl-, ethyl ester) Related Products
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