Basic information
- CAS
16664-45-2- Standard SMILES
Cc1cc(C)c2ccc3ccccc3c2c1- InChIKey
UJUUQKOWULNFNG-UHFFFAOYSA-N- Molecular formula
- C16H14
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.10955045
Names & identifiers
- Preferred name
- Phenanthrene, 1,3-dimethyl-
- IUPAC
- 1,3-dimethylphenanthrene
- English name
- 1,3-Dimethylphenanthrene
- Molecular formula
- C16H14
- Molecular weight
- 206.28
Names & synonyms
1,3-DimethylphenanthrenePhenanthrene, 1,3-dimethyl-CCRIS 4927BRN 1863256DTXSID701681464-05-00-02332 (Beilstein Handbook Reference)RefChem:172602DTXCID4090637UJUUQKOWULNFNG-UHFFFAOYSA-N16664-45-2SCHEMBL598859NS00076516
Show more names
1,3-dimethyl-phenanthren1,3-Dimethylphenanthrene in isooctane
Database identifiers
- CAS
16664-45-2- PubChem CID
- 85532
- DTXSID
DTXSID70168146- Nikkaji
- J1.070.825G
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 76 · 76-77 °C
- Boiling point
- 369 · 369.0±12.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 1.7 · 1.7×10-1 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers5 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
Carbone Scientific CO., LTD[email protected]
CHIRON[email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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