3-Methylphenanthrene
PubChem CID: 13258
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| Compound Synonyms | 3-METHYLPHENANTHRENE, 832-71-3, Phenanthrene, 3-methyl-, 3-MethyIphenanthrene, 3-methyl-phenanthrene, UNII-631K6Z695J, EINECS 212-623-7, 631K6Z695J, NSC 408897, NSC-408897, DTXSID7052731, MFCD00216221, NSC408897, DTXCID3031319, Phenanthrene, 3-methyl-(8CI), AKOS015905971, Phenanthrene, 3-methyl-(8CI)(9CI), FM62186, AS-57358, DB-056705, CS-0326325, M0523, NS00038244, D91348, Q27263539, 212-623-7 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 220.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylphenanthrene |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C15H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GKYWZUBZZBHZKU-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -6.448 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.171 |
| Compound Name | 3-Methylphenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 192.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.967184866666667 |
| Inchi | InChI=1S/C15H12/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11/h2-10H,1H3 |
| Smiles | CC1=CC2=C(C=C1)C=CC3=CC=CC=C32 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients