Cas no 70450-85-0 (3H-Indol-3-one,1,2-dihydro-2-(hydroxymethylene)-(9CI))
70450-85-0 structure
Product Name:3H-Indol-3-one,1,2-dihydro-2-(hydroxymethylene)-(9CI)
CAS No:70450-85-0
MF:C9H7NO2
MW:161.157382249832
CID:975155
PubChem ID:135742382
Update Time:2025-04-19
3H-Indol-3-one,1,2-dihydro-2-(hydroxymethylene)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 3H-Indol-3-one,1,2-dihydro-2-(hydroxymethylene)-(9CI)
- (2E)-2-(hydroxymethylidene)-1H-indol-3-one
- AKOS006370989
- 172984-51-9
- 2-formyl-3-hydroxyindole
- 3-Hydroxy-1H-indole-2-carbaldehyde
- 2-hydroxymethylene-3-indolinone
- 70450-85-0
- 2-(Hydroxymethylene)indolin-3-one
- SCHEMBL1163942
- 3H-Indol-3-one, 1,2-dihydro-2-(hydroxymethylene)-
- DB-271707
-
- Inchi： 1S/C9H7NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10-8/h1-5,10,12H
- InChI Key： NELMWYZLBXRYSV-UHFFFAOYSA-N
- SMILES： OC1=C(C=O)NC2C=CC=CC=21
Computed Properties
- Exact Mass: 161.04771
- Monoisotopic Mass: 161.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 183
- 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
- Topological Polar Surface Area: 53.1?2
Experimental Properties
- PSA: 49.33
3H-Indol-3-one,1,2-dihydro-2-(hydroxymethylene)-(9CI) Related Literature
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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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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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