Molecule:100693: Difference between revisions
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molecule
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{{Molecule | {{Molecule | ||
|abbrev=Mn(phdk)(CO)3(MeCN) | |abbrev=Mn(phdk)(CO)3(MeCN) | ||
|moleculeKey= | |moleculeKey=OYUJSMZZRTUSDV-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-01102415462D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
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M V30 17 Mn 8.75 -4.975 0.0 0 CHG=1 | M V30 17 Mn 8.75 -4.975 0.0 0 CHG=1 | ||
M V30 18 N 10.8 -4.975 0.0 0 | M V30 18 N 10.8 -4.975 0.0 0 | ||
M V30 19 C 7.76789 -5.55711 0.0 0 | M V30 19 C 7.76789 -5.55711 0.0 0 CHG=-1 | ||
M V30 20 C 9.78211 -5.53211 0.0 0 | M V30 20 C 9.78211 -5.53211 0.0 0 CHG=-1 | ||
M V30 21 C 8.75 -5.975 0.0 0 | M V30 21 C 8.75 -5.975 0.0 0 CHG=-1 | ||
M V30 22 O 6.90187 -6.05711 0.0 0 | M V30 22 O 6.90187 -6.05711 0.0 0 CHG=1 | ||
M V30 23 O 8.75 -6.975 0.0 0 | M V30 23 O 8.75 -6.975 0.0 0 CHG=1 | ||
M V30 24 O 10.6481 -6.03211 0.0 0 | M V30 24 O 10.6481 -6.03211 0.0 0 CHG=1 | ||
M V30 25 C 11.5909 -4.96618 0.0 0 | M V30 25 C 11.5909 -4.96618 0.0 0 | ||
M V30 26 C 12.3319 -4.95736 0.0 0 | M V30 26 C 12.3319 -4.95736 0.0 0 | ||
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M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=C12N3[Mn+](C#O)(C#O)(C#O)(N#CC)N4=CC=CC(C(=O)C(=O)C=1C=CC=3)=C24 | |||
|inchi=1S/C12H6N2O2.C2H3N. | |smiles=C12N3[Mn+]([C-]#[O+])([C-]#[O+])([C-]#[O+])(N#CC)N4=CC=CC(C(=O)C(=O)C=1C=CC=3)=C24 | ||
|inchikey= | |inchi=1S/C12H6N2O2.C2H3N.3CO.Mn/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-2-3;3*1-2;/h1-6H;1H3;;;;/q;;;;;+1 | ||
|inchikey=OYUJSMZZRTUSDV-UHFFFAOYSA-N | |||
|width=300px | |width=300px | ||
|height=200px | |height=200px | ||
Revision as of 15:47, 10 January 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | Mn(phdk)(CO)3(MeCN) |
| Trivialname | n/a |
| Exact mass | 393.01519200409 |
| Molecular formula | C17H12MnN3O5+ |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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