Cas no 23518-13-0 (Ethanone,2-hydroxy-1-(1-methyl-1H-indol-3-yl)-)
23518-13-0 structure
Product Name:Ethanone,2-hydroxy-1-(1-methyl-1H-indol-3-yl)-
CAS No:23518-13-0
MF:C11H11NO2
MW:189.210542917252
CID:264677
PubChem ID:31969
Update Time:2025-04-19
Ethanone,2-hydroxy-1-(1-methyl-1H-indol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-hydroxy-1-(1-methyl-1H-indol-3-yl)-
- 2-hydroxy-1-(1-methylindol-3-yl)ethanone
- KETONE, HYDROXYMETHYL 1-METHYL-3-INDOLYL
- 1-methyl-3-hydroxyacetylindole
- 3-(Hydroxyacetyl)-1-methylindole
- BRN 1530449
- DTXSID70178109
- Indole, 3-(hydroxyacetyl)-1-methyl
- 23518-13-0
-
- Inchi： 1S/C11H11NO2/c1-12-6-9(11(14)7-13)8-4-2-3-5-10(8)12/h2-6,13H,7H2,1H3
- InChI Key： DFHGHQAFUBWFPM-UHFFFAOYSA-N
- SMILES： O=C(CO)C1=CN(C)C2C=CC=CC=21
Computed Properties
- Exact Mass: 189.07903
- Monoisotopic Mass: 189.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 229
- 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: 1.3
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.23
Ethanone,2-hydroxy-1-(1-methyl-1H-indol-3-yl)- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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