Cas no 14451-00-4 (2-Butenedioic acid(2E)-, iron salt (1:?))
14451-00-4 structure
Product Name:2-Butenedioic acid(2E)-, iron salt (1:?)
CAS No:14451-00-4
MF:C12H6Fe2O12
MW:453.858847141266
CID:151417
PubChem ID:122361458
Update Time:2025-04-19
2-Butenedioic acid(2E)-, iron salt (1:?) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid(2E)-, iron salt (1:?)
- (E)-but-2-enedioate,iron(3+)
- 2-Butenedioic acid (2E)-, iron salt
- 2-Butenedioic acid (E)-, iron salt
- diferric (Z)-but-2-enedioate
- Fumaric acid, iron salt
- Iron fumarate
- Iron(III) Fumarate
- EINECS 238-433-4
- 14451-00-4
- (E)-but-2-enedioate;iron(3+)
- 2-Butenedioic acid(E)-,iron salt
-
- Inchi： 1S/3C4H4O4.2Fe/c3*5-3(6)1-2-4(7)8;;/h3*1-2H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6/b2-1+;2*2-1-;;
- InChI Key： IMWCPTKSESEZCL-VOOOKCPJSA-H
- SMILES： [Fe+3].[Fe+3].[O-]C(/C=C\C(=O)[O-])=O.[O-]C(/C=C/C(=O)[O-])=O.[O-]C(/C=C\C(=O)[O-])=O
Computed Properties
- Exact Mass: 453.85581
- Monoisotopic Mass: 453.85581
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 26
- Rotatable Bond Count: 0
- Complexity: 108
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 241
Experimental Properties
- Density: g/cm3
- Boiling Point: 355.5°Cat760mmHg
- Flash Point: 183°C
2-Butenedioic acid(2E)-, iron salt (1:?) Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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