Cas no 97403-85-5 (2-Propenoic acid,3-(4-hydroxy-3-methoxyphenyl)-, magnesium salt (2:1), (Z)- (9CI))
97403-85-5 structure
Product Name:2-Propenoic acid,3-(4-hydroxy-3-methoxyphenyl)-, magnesium salt (2:1), (Z)- (9CI)
CAS No:97403-85-5
MF:C20H18MgO8
MW:410.657126903534
CID:815563
PubChem ID:54725727
Update Time:2025-04-19
2-Propenoic acid,3-(4-hydroxy-3-methoxyphenyl)-, magnesium salt (2:1), (Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid,3-(4-hydroxy-3-methoxyphenyl)-, magnesium salt (2:1), (Z)- (9CI)
- magnesium(2+) (Z)-4'-hydroxy-3'-methoxycinnamate
- magnesium,4-[(Z)-2-carboxyethenyl]-2-methoxyphenolate
- EINECS 306-747-1
- 97403-85-5
-
- Inchi： 1S/2C10H10O4.Mg/c2*1-14-9-6-7(2-4-8(9)11)3-5-10(12)13;/h2*2-6,11H,1H3,(H,12,13);/q;;+2/p-2/b2*5-3-;
- InChI Key： YHTWUBRFINUCQW-SHCHSPEBSA-L
- SMILES： [Mg+2].O(C)C1=C(C=CC(/C=C\C(=O)O)=C1)[O-].O(C)C1=C(C=CC(/C=C\C(=O)O)=C1)[O-]
Computed Properties
- Exact Mass: 410.0852092g/mol
- Monoisotopic Mass: 410.0852092g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 29
- Rotatable Bond Count: 6
- Complexity: 224
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 139?2
2-Propenoic acid,3-(4-hydroxy-3-methoxyphenyl)-, magnesium salt (2:1), (Z)- (9CI) Related Literature
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Cinnamic acids and derivatives Hydroxycinnamic acids and derivatives Hydroxycinnamic acids
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