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83824-08-2 | 1H-Indole-1-carboxaldehyde, 3-ethyl-
CAS No: 83824-08-2 Catalog No: AG0054TV MDL No:
Product Description
Catalog Number:
AG0054TV
Chemical Name:
1H-Indole-1-carboxaldehyde, 3-ethyl-
CAS Number:
83824-08-2
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
3-ethylindole-1-carbaldehyde
InChI:
InChI=1S/C11H11NO/c1-2-9-7-12(8-13)11-6-4-3-5-10(9)11/h3-8H,2H2,1H3
InChI Key:
UWNWSDDTYGTGCM-UHFFFAOYSA-N
SMILES:
CCc1cn(c2c1cccc2)C=O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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