1,2-Xylene
PubChem CID: 6850715
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| Compound Synonyms | 1,2-xylene, 1,3-xylene, 1,4-xylene, 1,2-xylene, 1,3-xylene, 1,4-xylene, Dimethylbenzene, Entellan New, Xylol, ZEP-RD, , Xylenen, Xylenes, ACS reagent, >=98.5% xylenes + ethylbenzene basis, Xylenes reagent, Xylenes, ACS reagent, Xylenes, reagent grade, Xylenes, histological grade, Xylenes, puriss., 98.0%, Xylenes, AR, sulfur free, >=99%, Xylenes, LR, sulfur free, >=98%, AKOS026745417, Xylenes, SAJ first grade, >=80.0%, Xylenes, SAJ special grade, >=80.0%, Xylenes (total) 2000 microg/mL in Methanol, A806539, F0001-0439, 1,2-dimethylbenzene, 1,3-dimethylbenzene, 1,4-dimethylbenzene, Xylenes, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 98.5%, Xylenes, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., Xylenes, ACS reagent, >=98.5% xylenes + ethylbenzene basis (ethylbenzene <=25%), 905-215-1 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Description | Xylene is a mixture of three structural isomers of the aromatic hydrocarbon dimethylbenzene:1,2-Dimethylbenzene, 1,3-Dimethylbenzene and 1,4-Dimethylbenzene. Xylene is found in black walnut and corn. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 163.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-xylene, 1,3-xylene, 1,4-xylene |
| Prediction Hob | 0.0 |
| Class | Benzene and substituted derivatives |
| Superclass | Benzenoids |
| Subclass | Toluenes |
| Molecular Formula | C24H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MVZVDAGWAAZJPE-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 0.0 |
| Synonyms | Dimethylbenzene (mixed isomers), Dimethylbenzenes, Except p-xylene, mixed or all isomers, M & p-xylene, M-,p-,o-xylene, Methyl toluene, Methyltoluene, Mixed or all isomersexcept P -xylene, Mixed or all isomersexcept P-xylene, Mixed xylenes, O-,m-,p-xylene, Socal aquatic solvent 3501, Total xylenes, Violet 3, Xyle ne, Xylene (mixed isomers), Xylene (mixed), Xylene (o-, m-, p-isomers), Xylene (o-,m-,p-), Xylene (o,m,p isomers), Xylene mixture, Xylene mixture (m-xylene, o-xylene, p-xylene), Xylene, (total), Xylene, acs, Xylene, isomers, Xylene, mixed, Xylene, mixed isomers, pure, Xylene, mixed or all isomers, except p -, Xylene, mixed or all isomers, except p-, Xylenehistological grade, Xylenes, Xylenes (isomers and mixture), Xylenes (o-, m-, p-isomers), Xylenes mixed isomers, Xylenes, total |
| Substituent Name | Nitrotoluene, Hydrocarbon, Aromatic homomonocyclic compound |
| Compound Name | 1,2-Xylene, 1,3-xylene, 1,4-xylene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 318.5 |
| Covalent Unit Count | 3.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.7688248 |
| Inchi | InChI=1S/3C8H10/c1-7-3-5-8(2)6-4-7, 1-7-4-3-5-8(2)6-7, 1-7-5-3-4-6-8(7)2/h3*3-6H,1-2H3 |
| Smiles | CC1=CC=C(C=C1)C.CC1=CC(=CC=C1)C.CC1=CC=CC=C1C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Splendens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ephedra Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all