Cas no 7497-92-9 ( )
structure
Product Name:
CAS No:7497-92-9
MF:C11H14O3
MW:194.227063655853
CID:980789
PubChem ID:347932
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- methyl 3-(4-methylphenoxy)propanoate
- 7497-92-9
- AKOS008906715
- NSC-406857
- methyl 3-(4-methylphenoxy)-propanoate
- DTXSID90324500
- BVRVMPKPSNDZLA-UHFFFAOYSA-N
- NSC406857
- methyl-3-(4-methylphenoxy)propanoate
- SCHEMBL10738896
-
-
- Inchi： 1S/C11H14O3/c1-9-3-5-10(6-4-9)14-8-7-11(12)13-2/h3-6H,7-8H2,1-2H3
- InChI Key： BVRVMPKPSNDZLA-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C)=CC=1)CCC(=O)OC
Computed Properties
- Exact Mass: 194.09432
- Monoisotopic Mass: 194.094294304g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- 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: 2.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Related Literature
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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