Cas no 445490-34-6 (5-hydroxy-1H-Indole-1-acetic acid methyl ester)
445490-34-6 structure
Product Name:5-hydroxy-1H-Indole-1-acetic acid methyl ester
CAS No:445490-34-6
MF:C11H11NO3
MW:205.209943056107
CID:1112565
PubChem ID:20770839
Update Time:2025-04-20
5-hydroxy-1H-Indole-1-acetic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-hydroxy-1H-Indole-1-acetic acid methyl ester
- methyl 2-(5-hydroxyindol-1-yl)acetate
- (5-Hydroxyindole-1-yl)acetic acid methyl ester
- 445490-34-6
- DTXSID10609705
- (5-Hydroxy-indol-1-yl)-acetic acid methyl ester
- SCHEMBL5449877
- methyl(5-hydroxy-1h-indol-1-yl)acetate
- XNSGCNDMVQXGPC-UHFFFAOYSA-N
- methyl (5-hydroxy-1H-indol-1-yl)acetate
-
- Inchi： 1S/C11H11NO3/c1-15-11(14)7-12-5-4-8-6-9(13)2-3-10(8)12/h2-6,13H,7H2,1H3
- InChI Key： XNSGCNDMVQXGPC-UHFFFAOYSA-N
- SMILES： O(C)C(CN1C=CC2C=C(C=CC1=2)O)=O
Computed Properties
- Exact Mass: 205.07389321g/mol
- Monoisotopic Mass: 205.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 244
- 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: 1.7
- Topological Polar Surface Area: 51.5?2
5-hydroxy-1H-Indole-1-acetic acid methyl ester Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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