Basic information
- CAS
52251-72-6- Standard SMILES
CCCCc1ccc2cc3ccccc3cc2c1- InChIKey
SGHGTABSBRRVLL-UHFFFAOYSA-N- Molecular formula
- C18H18
- Average molar mass
- 234.3 g/mol
- Monoisotopic mass
- 234.14085057
Names & identifiers
- Preferred name
- 2-Butylanthracene
- IUPAC
- 2-butylanthracene
- English name
- 2-butylanthracene
- Molecular formula
- C18H18
- Molecular weight
- 234.34
Names & synonyms
2-butylanthracene52251-72-6DTXSID90372743RefChem:258073DTXCID90323775g-n-butylanthracenSCHEMBL1487677SCHEMBL2252220SCHEMBL2252409SCHEMBL2252481SCHEMBL2254059SCHEMBL2254075
Show more names
Anthracene, 2-butyl-
SCHEMBL2254290SCHEMBL2254826SCHEMBL2256224SCHEMBL2258860SCHEMBL2480738AKOS004904466
Database identifiers
- CAS
52251-72-6- PubChem CID
- 2748880
- DTXSID
DTXSID90372743- Nikkaji
- J707.713K
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 389.8 · 389.8±9.0 °C(Predicted)
- Density
- 1.048 · 1.048±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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