Cas no 56798-52-8 (2-Propanone, 1-(5-methoxy-3-benzofuranyl)-)
56798-52-8 structure
Product Name:2-Propanone, 1-(5-methoxy-3-benzofuranyl)-
CAS No:56798-52-8
MF:C12H12O3
MW:204.221883773804
CID:347802
PubChem ID:15618720
Update Time:2025-04-19
2-Propanone, 1-(5-methoxy-3-benzofuranyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1-(5-methoxy-3-benzofuranyl)-
- 1-(5-methoxy-1-benzofuran-3-yl)propan-2-one
- SITQCVWRMFSBMQ-UHFFFAOYSA-N
- SCHEMBL4153178
- DTXSID10575815
- 56798-52-8
- 1-(5-methoxy-1-benzofuran-3-yl)acetone
-
- Inchi： 1S/C12H12O3/c1-8(13)5-9-7-15-12-4-3-10(14-2)6-11(9)12/h3-4,6-7H,5H2,1-2H3
- InChI Key： SITQCVWRMFSBMQ-UHFFFAOYSA-N
- SMILES： O1C=C(CC(C)=O)C2C=C(C=CC1=2)OC
Computed Properties
- Exact Mass: 204.07866
- Monoisotopic Mass: 204.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 239
- 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: 1.9
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
2-Propanone, 1-(5-methoxy-3-benzofuranyl)- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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