Cas no 140836-82-4 (Benzene, 1-methoxy-4-(3-pentenyl)-)
140836-82-4 structure
Product Name:Benzene, 1-methoxy-4-(3-pentenyl)-
CAS No:140836-82-4
MF:C12H16O
MW:176.254843711853
CID:1297177
Update Time:2024-08-03
Benzene, 1-methoxy-4-(3-pentenyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzene, 1-methoxy-4-(3-pentenyl)-
- Benzene, 1-methoxy-4-(3-penten-1-yl)-
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- Inchi： 1S/C12H16O/c1-3-4-5-6-11-7-9-12(13-2)10-8-11/h3-4,7-10H,5-6H2,1-2H3
- InChI Key： YAJWTQZEDNMEEV-UHFFFAOYSA-N
- SMILES： C1(OC)=CC=C(CCC=CC)C=C1
Computed Properties
- Exact Mass: 176.12018
- Monoisotopic Mass: 176.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 143
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 9.2A^2
Experimental Properties
- Density: 0.930±0.06 g/cm3(Predicted)
- Boiling Point: 249.4±9.0 °C(Predicted)
- PSA: 9.23
Benzene, 1-methoxy-4-(3-pentenyl)- Related Literature
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1. 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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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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