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63697-96-1 | 4-Ethynylbenzaldehyde
CAS No: 63697-96-1 Catalog No: AG00340T MDL No:MFCD05664348
Product Description
Catalog Number:
AG00340T
Chemical Name:
4-Ethynylbenzaldehyde
CAS Number:
63697-96-1
Molecular Formula:
C9H6O
Molecular Weight:
130.1433
MDL Number:
MFCD05664348
IUPAC Name:
4-ethynylbenzaldehyde
InChI:
InChI=1S/C9H6O/c1-2-8-3-5-9(7-10)6-4-8/h1,3-7H
InChI Key:
BGMHQBQFJYJLBP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C#C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.042g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.146g/mol
Monoisotopic Mass:
130.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Molecular bridging of silicon nanogaps. | ACS nano 20101228 |
| Facile synthesis, structure, and luminescence properties of Pt(diimine)bis(arylacetylide) chromophore-donor dyads. | Inorganic chemistry 20050418 |
| Synthesis and characterization of platinum diimine bis(acetylide) complexes containing easily derivatizable aryl acetylide ligands. | Inorganic chemistry 20030616 |
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