Cas no 154424-13-2 (Methyl 3-(2,6-dimethoxyphenyl)prop-2-enoate)
154424-13-2 structure
Product Name:Methyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
CAS No:154424-13-2
MF:C12H14O4
MW:222.237164020538
CID:2779296
PubChem ID:54202851
Update Time:2024-03-01
Methyl 3-(2,6-dimethoxyphenyl)prop-2-enoate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 3-(2,6-dimethoxyphenyl)prop-2-enoate
- 2,6-dimethoxycinnamic acid methyl ester
-
- Inchi： 1S/C12H14O4/c1-14-10-5-4-6-11(15-2)9(10)7-8-12(13)16-3/h4-8H,1-3H3
- InChI Key： PQLQSEUZCLHNEE-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC=C(C=1C=CC(=O)OC)OC
Computed Properties
- Exact Mass: 222.08920892 g/mol
- Monoisotopic Mass: 222.08920892 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 237
- 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
- XLogP3: 2.1
- Topological Polar Surface Area: 44.8
- Molecular Weight: 222.24
Methyl 3-(2,6-dimethoxyphenyl)prop-2-enoate Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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