Cas no 88715-95-1 (Benzene, 1-ethoxy-4-isocyanato-2-(methoxymethyl)-)
88715-95-1 structure
Product Name:Benzene, 1-ethoxy-4-isocyanato-2-(methoxymethyl)-
CAS No:88715-95-1
MF:C11H13NO3
MW:207.225823163986
CID:623405
PubChem ID:71319758
Update Time:2025-04-19
Benzene, 1-ethoxy-4-isocyanato-2-(methoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-ethoxy-4-isocyanato-2-(methoxymethyl)-
- 1-ethoxy-4-isocyanato-2-(methoxymethyl)benzene
- SCHEMBL10783193
- DTXSID10749756
- 88715-95-1
-
- Inchi： 1S/C11H13NO3/c1-3-15-11-5-4-10(12-8-13)6-9(11)7-14-2/h4-6H,3,7H2,1-2H3
- InChI Key： YGEKHUZHTXSKRW-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC(=CC=1COC)N=C=O
Computed Properties
- Exact Mass: 207.08954328g/mol
- Monoisotopic Mass: 207.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 226
- 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: 2.7
- Topological Polar Surface Area: 47.9?2
Benzene, 1-ethoxy-4-isocyanato-2-(methoxymethyl)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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