Cas no 540492-28-2 (Benzene, 1-ethynyl-3-methoxy-2-(1-methylethoxy)-)
540492-28-2 structure
Product Name:Benzene, 1-ethynyl-3-methoxy-2-(1-methylethoxy)-
CAS No:540492-28-2
MF:C12H14O2
MW:190.238363742828
CID:2831071
PubChem ID:11369876
Update Time:2025-04-21
Benzene, 1-ethynyl-3-methoxy-2-(1-methylethoxy)- Chemical and Physical Properties
Names and Identifiers
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- DTXCID80414681
- DTXSID90463862
- 540492-28-2
- Benzene, 1-ethynyl-3-methoxy-2-(1-methylethoxy)-
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- Inchi： 1S/C12H14O2/c1-5-10-7-6-8-11(13-4)12(10)14-9(2)3/h1,6-9H,2-4H3
- InChI Key： UFJIPNKWMGCWRV-UHFFFAOYSA-N
- SMILES： O(C1C(C#C)=CC=CC=1OC)C(C)C
Computed Properties
- Exact Mass: 190.099379685Da
- Monoisotopic Mass: 190.099379685Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 214
- 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: 2.9
- Topological Polar Surface Area: 18.5?2
Benzene, 1-ethynyl-3-methoxy-2-(1-methylethoxy)- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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