Cas no 756809-77-5 (4-Isoquinolineaceticacid, 6-ethyl-)
756809-77-5 structure
Product Name:4-Isoquinolineaceticacid, 6-ethyl-
CAS No:756809-77-5
MF:C13H13NO2
MW:215.247823476791
CID:549189
PubChem ID:22226522
Update Time:2025-04-19
4-Isoquinolineaceticacid, 6-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoquinolineaceticacid, 6-ethyl-
- 4-Isoquinolineaceticacid,6-ethyl-(9CI)
- 2-(6-ethylisoquinolin-4-yl)acetic acid
- (6-Ethylisoquinolin-4-yl)acetic acid
- SCHEMBL4809719
- DTXSID00623596
- 4-isoquinolineacetic acid,6-ethyl-
- 756809-77-5
-
- Inchi： 1S/C13H13NO2/c1-2-9-3-4-10-7-14-8-11(6-13(15)16)12(10)5-9/h3-5,7-8H,2,6H2,1H3,(H,15,16)
- InChI Key： FZGZWOKVPBYUCU-UHFFFAOYSA-N
- SMILES： OC(CC1=CN=CC2C=CC(CC)=CC=21)=O
Computed Properties
- Exact Mass: 215.094628657g/mol
- Monoisotopic Mass: 215.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 254
- 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: 2.4
- Topological Polar Surface Area: 50.2?2
4-Isoquinolineaceticacid, 6-ethyl- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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