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2579-22-8 | 3-Phenylpropiolaldehyde
CAS No: 2579-22-8 Catalog No: AG003TQ0 MDL No:MFCD00006995
Product Description
Catalog Number:
AG003TQ0
Chemical Name:
3-Phenylpropiolaldehyde
CAS Number:
2579-22-8
Molecular Formula:
C9H6O
Molecular Weight:
130.1433
MDL Number:
MFCD00006995
IUPAC Name:
3-phenylprop-2-ynal
InChI:
InChI=1S/C9H6O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H
InChI Key:
IDASOVSVRKONFS-UHFFFAOYSA-N
SMILES:
O=CC#Cc1ccccc1
EC Number:
219-942-0
NSC Number:
47568
Properties
Complexity:
164
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Use of N-methylformamide as a solvent in indium-promoted Barbier reactions en route to enediyne and epoxy diyne formation: comparison of rate and stereoselectivity in C-C bond-forming reactions with water. | The Journal of organic chemistry 20090821 |
| Asymmetric synthesis of anti-homopropargylic alcohols from aldehydes and chiral sulfonimidoyl substituted bis(allyl)titanium complexes through generation and elimination of novel chiral alkylidenecarbene (dimethylamino)sulfoxonium ylides. | Journal of the American Chemical Society 20020904 |
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