Molecule:100963: Difference between revisions
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molecule
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|moleculeKey=FYGHSUNMUKGBRK-UHFFFAOYSA-N | |moleculeKey=FYGHSUNMUKGBRK-UHFFFAOYSA-N | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-12122417592D | ||
0 0 0 0 0 0 0 0 0 0 0 V3000 | 0 0 0 0 0 0 0 0 0 0 0 V3000 | ||
| Line 41: | Line 41: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles= | |||
|inchi= | |smiles=CC1C=CC=C(C)C=1C | ||
|inchi=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3 | |||
|inchikey=FYGHSUNMUKGBRK-UHFFFAOYSA-N | |inchikey=FYGHSUNMUKGBRK-UHFFFAOYSA-N | ||
|width=200 | |width=200 | ||
Latest revision as of 18:00, 12 December 2024
| Properties | |
|---|---|
| CID | 10686 |
| CAS | 526-73-8 |
| IUPAC-Name | 1,2,3-trimethylbenzene |
| Abbreviation | n/a |
| Trivialname | 1,2,3-TRIMETHYLBENZENE |
| Exact mass | 120.093900383 |
| Molecular formula | C9H12 |
| LogP | 3.6 |
| Has vendors | true |
| Molecular role | n/a |
| Synonyms | 1,2,3-TRIMETHYLBENZENE, Hemimellitene, Trimethylbenzene, Hemellitol, Hemimellitol, Benzene, 1,2,3-trimethyl-, ZK4R7UPH6R, 1,2,3-trimethyl-benzene, DTXSID8047769, CHEBI:34037 |
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