Cas no 12251-00-2 (MICA)
MICA structure
Product Name:MICA
CAS No:12251-00-2
MF:C62H92CoN13O14P
MW:1333.37955665588
CID:119035
PubChem ID:5478887
Update Time:2024-11-26
MICA Chemical and Physical Properties
Names and Identifiers
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- MICA
- MAGNESIUM MICA
- SATIN MICA
- PHLOGOPITE
- PHLOGOPHITE
- 12251-00-2
-
- Inchi： 1S/C62H92N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-38,41,50-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q-4;/b42-23-,54-32-,55-33-;/t31-,34-,35-,36-,37+,38?,41-,50?,51?,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1
- InChI Key： KETUBBKAXBARGF-SVRMCZADSA-N
- SMILES： [Co].P(=O)(O[H])(O[C@]1([H])[C@@]([H])(C([H])([H])O[H])O[C@@]([H])([C@]1([H])O[H])N1C([H])=NC2C([H])=C(C([H])([H])[H])C(C([H])([H])[H])=C([H])C1=2)O[C@]([H])(C([H])([H])[H])C([H])([H])N([H])C(C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])C2=C(C([H])([H])[H])C3([H])[C@@]([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)C(C([H])([H])[H])(C([H])([H])[H])C(=C([H])C4([H])[C@@]([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)[C@](C([H])([H])[H])(C([H])([H])C(N([H])[H])=O)C(=C(C([H])([H])[H])C5([H])[C@@]([H])(C([H])([H])C([H])([H])C(N([H])[H])=O)[C@](C([H])([H])[H])(C([H])([H])C(N([H])[H])=O)[C@](C([H])([H])[H])([C@@]([H])([C@]1([H])C([H])([H])C(N([H])[H])=O)[N-]2)[N-]5)[N-]4)[N-]3)=O |c:68,98,129|
Computed Properties
- Exact Mass: 1332.595625g/mol
- Monoisotopic Mass: 1332.595625g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 91
- Rotatable Bond Count: 26
- Complexity: 2960
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 14
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 415?2
Experimental Properties
- Density: 2,8 g/cm3
- Melting Point: >850°C
MICA Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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