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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
1
Total Number of Articles : 1
|
| PubChem |
13018
|
| Molecular Formula |
C9H8 |
| SMILES |
CC1=CC=C(C=C1)C#C |
| InChI |
InChI=1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3 |
| synonyms |
- 4-Ethynyltoluene
- 1-Ethynyl-4-methylbenzene
- 766-97-2
- p-Tolylacetylene
- 4-Methylphenylacetylene
- p-Ethynyltoluene
- Benzene, 1-ethynyl-4-methyl-
- p-Methylphenylacetylene
- TOLUENE, p-ETHYNYL-
- 4'-METHYLPHENYL ACETYLENE
- 4-Ethynyltoluene, 97%
- 1-ethynyl-4-methyl-benzene
- Benzene, 1-ethynyl-4-methyl- (9CI)
- BRN 0969653
- p-Tolyacetylene
- p-toluylacetylene
- 4-tolylacetylene
- p-tolyl acetylene
- 4-ethynyl toluene
- 4-ethynyl-toluene
- 4-tolyl Acetylene
- 4-methylphenylethyne
- 4-Methylethynylbenzene
- (p-Methylphenyl)ethyne
- 4-methyl phenylacetylene
- 4-methyl-phenylacetylene
- 1-Methyl-4-ethynylbenzene
- 2-(4-Methylphenyl)acetylene
- 4-05-00-01531 (Beilstein Handbook Reference)
- 1-Ethynyl-4-methylbenzene #
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|
| Properties |
| Property |
Value |
| MW |
116.16 g/mol |
| HBD |
0 |
| HBA |
0 |
| Rotatable Bond Count |
1 |
| Exact Mass |
116.062600255 g/mol |
| Monoisotopic Mass |
116.062600255 g/mol |
| Heavy Atom Count |
9 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
118 |
| xlogp |
3 |
| Topological Polar Surface Area |
0 |
|