Basic information
- CAS
278615-29-5- Standard SMILES
C#Cc1cc2cccccc-2c1- InChIKey
VTEAOJBDUXCZGU-UHFFFAOYSA-N- Molecular formula
- C12H8
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.06260026
Names & identifiers
- Preferred name
- 2-Ethynylazulene
- IUPAC
- 2-ethynylazulene
- English name
- 2-ethynylazulene
- Molecular formula
- C12H8
- Molecular weight
- 152.19
Names & synonyms
2-ethynylazuleneAzulene, 2-ethynyl-
Database identifiers
- CAS
278615-29-5- PubChem CID
- 12122198
- Nikkaji
- J1.303.922D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 66 °C · 66 °C
- Boiling point
- 269.7 · 269.7±9.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
JACS-郑州杰克斯化工产品有限公司0371-86259281 13223061139 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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