Cas no 85992-57-0 (1-(1-methyl-1H-indol-3-yl)-1-Propanone)
85992-57-0 structure
Product Name:1-(1-methyl-1H-indol-3-yl)-1-Propanone
CAS No:85992-57-0
MF:C12H13NO
MW:187.237723112106
CID:1119330
PubChem ID:13152430
Update Time:2025-04-20
1-(1-methyl-1H-indol-3-yl)-1-Propanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(1-methyl-1H-indol-3-yl)-1-Propanone
- AKOS000343656
- 1-(1-methyl-1H-indol-3-yl)propan-1-one
- 85992-57-0
- WLZ3705
- SCHEMBL4106159
-
- Inchi： 1S/C12H13NO/c1-3-12(14)10-8-13(2)11-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3
- InChI Key： CJHZZTMCVWQEBK-UHFFFAOYSA-N
- SMILES： O=C(CC)C1=CN(C)C2C=CC=CC=21
Computed Properties
- Exact Mass: 187.099714038g/mol
- Monoisotopic Mass: 187.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 226
- 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: 22?2
1-(1-methyl-1H-indol-3-yl)-1-Propanone Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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