Cas no 1040063-44-2 (2-(4-Propanoylphenoxy)propanamide)
1040063-44-2 structure
Product Name:2-(4-Propanoylphenoxy)propanamide
CAS No:1040063-44-2
MF:C12H15NO3
MW:221.252403497696
CID:2862584
Update Time:2023-08-10
2-(4-Propanoylphenoxy)propanamide Chemical and Physical Properties
Names and Identifiers
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- 2-(4-propanoylphenoxy)propanamide
- Z18536627
- 2-(4-Propanoylphenoxy)propanamide
-
- Inchi： 1S/C12H15NO3/c1-3-11(14)9-4-6-10(7-5-9)16-8(2)12(13)15/h4-8H,3H2,1-2H3,(H2,13,15)
- InChI Key： XZVRAVVDBCIFBJ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(CC)=O)=CC=1)C(C(N)=O)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 257
- XLogP3: 1.4
- Topological Polar Surface Area: 69.4
2-(4-Propanoylphenoxy)propanamide Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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