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Home > Aldehydes > 159718-56-6
159718-56-6 | 1H-Indole-3-carboxaldehyde, 4-ethynyl-
CAS No: 159718-56-6 Catalog No: AG001RCR MDL No:
Product Description
Catalog Number:
AG001RCR
Chemical Name:
1H-Indole-3-carboxaldehyde, 4-ethynyl-
CAS Number:
159718-56-6
Molecular Formula:
C11H7NO
Molecular Weight:
169.1794
IUPAC Name:
4-ethynyl-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C11H7NO/c1-2-8-4-3-5-10-11(8)9(7-13)6-12-10/h1,3-7,12H
InChI Key:
RUJQSVKLXYNUSG-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(C#C)ccc2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.183g/mol
Monoisotopic Mass:
169.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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