Cas no 24331-27-9 (Carbonic acid,monomethyl ester, calcium salt (8CI,9CI))
24331-27-9 structure
Product Name:Carbonic acid,monomethyl ester, calcium salt (8CI,9CI)
CAS No:24331-27-9
MF:C4H6CaO6
MW:190.164841175079
CID:273102
PubChem ID:73759911
Update Time:2025-04-19
Carbonic acid,monomethyl ester, calcium salt (8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbonic acid,monomethyl ester, calcium salt (8CI,9CI)
- Calcium dimethyl dicarbonate
- calcium methoxycarbonyl methyl carbonate
- EINECS 246-173-8
- 24331-27-9
-
- Inchi： 1S/2C2H4O3.Ca/c2*1-5-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
- InChI Key： QKIIAXWPNQIENK-UHFFFAOYSA-L
- SMILES： [Ca+2].O(C(=O)[O-])C.O(C(=O)[O-])C
Computed Properties
- Exact Mass: 173.98408
- Monoisotopic Mass: 189.9790288g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 99.1
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 98.7?2
Experimental Properties
- PSA: 61.83
Carbonic acid,monomethyl ester, calcium salt (8CI,9CI) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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