Cas no 52041-72-2 (2-Butenamide,N-(3-hydroxyphenyl)-)
52041-72-2 structure
Product Name:2-Butenamide,N-(3-hydroxyphenyl)-
CAS No:52041-72-2
MF:C10H11NO2
MW:177.199842691422
CID:381419
PubChem ID:6055750
Update Time:2025-04-19
2-Butenamide,N-(3-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenamide,N-(3-hydroxyphenyl)-
- (E)-N-(3-hydroxyphenyl)but-2-enamide
- AC1O0Y93
- NSC222527
- NSC-222527
- 3'-hydroxycrotonanilide
- AKOS008929327
- ONPGFTVBLFAILH-DUXPYHPUSA-N
- 52041-72-2
- SCHEMBL11873584
- SCHEMBL11873577
- DTXSID20421819
-
- Inchi： 1S/C10H11NO2/c1-2-4-10(13)11-8-5-3-6-9(12)7-8/h2-7,12H,1H3,(H,11,13)/b4-2+
- InChI Key： ONPGFTVBLFAILH-DUXPYHPUSA-N
- SMILES： OC1=CC=CC(=C1)NC(/C=C/C)=O
Computed Properties
- Exact Mass: 177.07903
- Monoisotopic Mass: 177.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
- LogP: 1.97980
2-Butenamide,N-(3-hydroxyphenyl)- Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
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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