Cas no 613-44-5 (3H-Indol-3-one, 2-methoxy-)
3H-Indol-3-one, 2-methoxy- structure
Product Name:3H-Indol-3-one, 2-methoxy-
CAS No:613-44-5
MF:C9H7NO2
MW:161.157382249832
CID:483104
PubChem ID:12266281
Update Time:2025-04-19
3H-Indol-3-one, 2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Indol-3-one, 2-methoxy-
- 2-Methoxy-3H-indol-3-one
- 2-methoxyindol-3-one
- 613-44-5
- 2-methoxy-indol-3-one
- DTXSID00483137
-
- Inchi： 1S/C9H7NO2/c1-12-9-8(11)6-4-2-3-5-7(6)10-9/h2-5H,1H3
- InChI Key： JKJBLIGGCVIZGH-UHFFFAOYSA-N
- SMILES： O(C)C1C(C2C=CC=CC=2N=1)=O
Computed Properties
- Exact Mass: 161.04771
- Monoisotopic Mass: 161.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 235
- 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: 1.4
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 39.19
3H-Indol-3-one, 2-methoxy- Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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