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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
9
Total Number of Articles : 6
|
| PubChem |
16932
|
| Molecular Formula |
C17H12 |
| SMILES |
CC1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4 |
| InChI |
InChI=1S/C17H12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10H,1H3 |
| synonyms |
- 1-METHYLPYRENE
- 2381-21-7
- Pyrene, 1-methyl-
- 3-Methylpyrene
- CCRIS 6066
- HSDB 2162
- EINECS 219-178-8
- AB8420OXQA
- NSC 90776
- BRN 1868500
- DTXSID0025654
- NSC-90776
- 1-METHYLPYRENE [HSDB]
- DTXCID805654
- KBSPJIWZDWBDGM-UHFFFAOYSA-
- 3Methylpyrene
- Pyrene, 1methyl
- 219-178-8
- inchi=1/c17h12/c1-11-5-6-14-8-7-12-3-2-4-13-9-10-15(11)17(14)16(12)13/h2-10h,1h3
- Pyrene, methyl-
- 1-Methyl pyrene
- METHYLPYRENE
- 210487-07-3
- 27577-90-8
- 1-Methylpyrene 10 microg/mL in Cyclohexane
- UNII-AB8420OXQA
- Pyrene, 1-methyl-; 1-Methylpyrene; 3-Methylpyrene; NSC 90776
- 1-Methylpyren
- Pyrene, 3-methyl
- MFCD00014329
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| Properties |
| Property |
Value |
| MW |
216.28 g/mol |
| HBD |
0 |
| HBA |
0 |
| Rotatable Bond Count |
0 |
| Exact Mass |
216.093900383 g/mol |
| Monoisotopic Mass |
216.093900383 g/mol |
| Heavy Atom Count |
17 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
294 |
| xlogp |
5.4 |
| Topological Polar Surface Area |
0 |
|