Cas no 89807-39-6 (2-Propen-1-one, 3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)-)
89807-39-6 structure
Product Name:2-Propen-1-one, 3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)-
CAS No:89807-39-6
MF:C12H15NO2
MW:205.253003358841
CID:588708
PubChem ID:53396673
Update Time:2025-04-19
2-Propen-1-one, 3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propen-1-one, 3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)-
- 3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)prop-2-en-1-one
- DTXSID70694273
- (1Z)-3-(Dimethyliminio)-1-(2-hydroxy-5-methylphenyl)-1-propene-1-olate
- AKOS016340175
- 89807-39-6
-
- Inchi： 1S/C12H15NO2/c1-9-4-5-11(14)10(8-9)12(15)6-7-13(2)3/h4-8,14H,1-3H3
- InChI Key： MKKLIEIMAOOPBV-UHFFFAOYSA-N
- SMILES： OC1=CC=C(C)C=C1C(C=CN(C)C)=O
Computed Properties
- Exact Mass: 205.11
- Monoisotopic Mass: 205.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 248
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.5
- Topological Polar Surface Area: 40.5?2
2-Propen-1-one, 3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
89807-39-6 (2-Propen-1-one, 3-(dimethylamino)-1-(2-hydroxy-5-methylphenyl)-) Related Products
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