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Home > Aldehydes > 106824-45-7
106824-45-7 | 2-HEX-1-YNYL-BENZALDEHYDE
CAS No: 106824-45-7 Catalog No: AG007TVA MDL No:
Product Description
Catalog Number:
AG007TVA
Chemical Name:
2-HEX-1-YNYL-BENZALDEHYDE
CAS Number:
106824-45-7
Molecular Formula:
C13H14O
Molecular Weight:
186.2497
IUPAC Name:
2-hex-1-ynylbenzaldehyde
InChI:
InChI=1S/C13H14O/c1-2-3-4-5-8-12-9-6-7-10-13(12)11-14/h6-7,9-11H,2-4H2,1H3
InChI Key:
FETDVTPMFRPTLM-UHFFFAOYSA-N
SMILES:
CCCCC#Cc1ccccc1C=O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.104g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.254g/mol
Monoisotopic Mass:
186.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| The reaction of o-alkynylarene and heteroarene carboxaldehyde derivatives with iodonium ions and nucleophiles: a versatile and regioselective synthesis of 1H-isochromene, naphthalene, indole, benzofuran, and benzothiophene compounds. | Chemistry (Weinheim an der Bergstrasse, Germany) 20060724 |
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