Cas no 29413-62-5 (Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, magnesiumsalt (2:1))
29413-62-5 structure
Product Name:Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, magnesiumsalt (2:1)
CAS No:29413-62-5
MF:C20H20Cl2MgO6
MW:451.580204963684
CID:290625
PubChem ID:21219603
Update Time:2025-04-19
Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, magnesiumsalt (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, magnesiumsalt (2:1)
- magnesium,2-(4-chloro-2-methylphenoxy)propanoate
- Magnesium 2-((4-chloro-o-tolyl)oxy)propionate
- propanoate, 2-(4-chloro-2-methylphenoxy)-, magnesium salt
- NS00083770
- 29413-62-5
- Magnesium bis[2-(4-chloro-2-methylphenoxy)propanoate]
- MAGNESIUM 2-[(4-CHLORO-O-TOLYL)OXY]PROPIONATE
- SCHEMBL8443311
- EINECS 249-611-6
- DTXSID60915666
-
- Inchi： 1S/2C10H11ClO3.Mg/c2*1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h2*3-5,7H,1-2H3,(H,12,13);/q;;+2/p-2
- InChI Key： GQAUCEDULBAZQL-UHFFFAOYSA-L
- SMILES： ClC1C=CC(=C(C)C=1)OC(C(=O)[O-])C.ClC1C=CC(=C(C)C=1)OC(C(=O)[O-])C.[Mg+2]
Computed Properties
- Exact Mass: 450.0488
- Monoisotopic Mass: 237.016889
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 202
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.4
Experimental Properties
- Boiling Point: 331.9°Cat760mmHg
- Flash Point: 154.5°C
- PSA: 98.72
Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, magnesiumsalt (2:1) Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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