Cas no 51056-37-2 (Ethyl 1H-indene-3-carboxylate)
Ethyl 1H-indene-3-carboxylate structure
Product Name:Ethyl 1H-indene-3-carboxylate
CAS No:51056-37-2
MF:C12H12O2
MW:188.222483634949
CID:2829587
PubChem ID:14946441
Update Time:2025-04-21
Ethyl 1H-indene-3-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 51056-37-2
- DTXSID40565880
- Ethyl 1H-indene-3-carboxylate
- SCHEMBL4018002
- DTXCID00516656
-
- Inchi： 1S/C12H12O2/c1-2-14-12(13)11-8-7-9-5-3-4-6-10(9)11/h3-6,8H,2,7H2,1H3
- InChI Key： YCVQJKUHRLFWMT-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=CCC2C=CC=CC=21)=O
Computed Properties
- Exact Mass: 188.083729621Da
- Monoisotopic Mass: 188.083729621Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 255
- 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: 2.6
- Topological Polar Surface Area: 26.3?2
Ethyl 1H-indene-3-carboxylate Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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