Basic information
- CAS
153390-76-2- Standard SMILES
C#Cc1cc(C#C)cc(C=O)c1- InChIKey
SHASLAOFDLIIRK-UHFFFAOYSA-N- Molecular formula
- C11H6O
- Average molar mass
- 154.16 g/mol
- Monoisotopic mass
- 154.04186481
Names & identifiers
- Preferred name
- 3,5-Diethynylbenzaldehyde
- IUPAC
- 3,5-diethynylbenzaldehyde
- English name
- Benzaldehyde, 3,5-diethynyl- (9CI)
- Molecular formula
- C11H6O
- Molecular weight
- 154.16
Names & synonyms
3,5-diethynylbenzaldehyde153390-76-2DTXSID50434811RefChem:271736DTXCID50385637Benzaldehyde, 3,5-diethynyl- (9CI)Benzaldehyde, 3,5-diethynyl-SCHEMBL3288586SHASLAOFDLIIRK-UHFFFAOYSA-NDB-2848283,5-Diethynyl benzaldehyde
Database identifiers
- CAS
153390-76-2- PubChem CID
- 10057726
- DTXSID
DTXSID50434811- Nikkaji
- J1.799.183C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 111 · 111-113 °C
- Boiling point
- 288.9 · 288.9±35.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
上海敏寒医药科技有限公司17612188245 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
2 records
Compound notes
Loading…