Cas no 796852-12-5 (2-Propanone, 1-(7-methoxy-3-benzofuranyl)-)
796852-12-5 structure
Product Name:2-Propanone, 1-(7-methoxy-3-benzofuranyl)-
CAS No:796852-12-5
MF:C12H12O3
MW:204.221883773804
CID:532473
PubChem ID:23614434
Update Time:2025-04-19
2-Propanone, 1-(7-methoxy-3-benzofuranyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone, 1-(7-methoxy-3-benzofuranyl)-
- 1-(7-methoxy-1-benzofuran-3-yl)propan-2-one
- ZXOXTAPKATXSGI-UHFFFAOYSA-N
- 796852-12-5
- SCHEMBL4138516
- 1-(7-methoxy-1-benzofuran-3-yl)acetone
- DTXSID40635153
-
- Inchi： 1S/C12H12O3/c1-8(13)6-9-7-15-12-10(9)4-3-5-11(12)14-2/h3-5,7H,6H2,1-2H3
- InChI Key： ZXOXTAPKATXSGI-UHFFFAOYSA-N
- SMILES： O1C=C(CC(C)=O)C2C=CC=C(C1=2)OC
Computed Properties
- Exact Mass: 204.078644241g/mol
- 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
2-Propanone, 1-(7-methoxy-3-benzofuranyl)- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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