Cas no 62485-98-7 (1-acetyl-1H-Indole-3-acetonitrile)
62485-98-7 structure
Product Name:1-acetyl-1H-Indole-3-acetonitrile
CAS No:62485-98-7
MF:C12H10N2O
MW:198.22060251236
CID:443134
PubChem ID:12324165
Update Time:2025-04-19
1-acetyl-1H-Indole-3-acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1-acetyl-1H-Indole-3-acetonitrile
- 1H-Indole-3-acetonitrile, 1-acetyl-
- 2-(1-acetylindol-3-yl)acetonitrile
- (1-Acetyl-1H-indol-3-yl)acetonitrile
- SCHEMBL8803444
- 62485-98-7
- N-Acetyl-indol-3-acetonitril
- 1-Acetyl-3-indolylacetonitrile
- DTXSID70489126
-
- Inchi： 1S/C12H10N2O/c1-9(15)14-8-10(6-7-13)11-4-2-3-5-12(11)14/h2-5,8H,6H2,1H3
- InChI Key： QVXKKOGYIMENPO-UHFFFAOYSA-N
- SMILES： O=C(C)N1C=C(CC#N)C2C=CC=CC1=2
Computed Properties
- Exact Mass: 198.0794
- Monoisotopic Mass: 198.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 304
- 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: 1.5
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 45.79
1-acetyl-1H-Indole-3-acetonitrile Related Literature
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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