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Home > Indoles and Oxindole > 80565-40-8
80565-40-8 | 1H-Indole, 2-(3-ethyl-5-methyl-4-isoxazolyl)-
CAS No: 80565-40-8 Catalog No: AG0052G5 MDL No:
Product Description
Catalog Number:
AG0052G5
Chemical Name:
1H-Indole, 2-(3-ethyl-5-methyl-4-isoxazolyl)-
CAS Number:
80565-40-8
Molecular Formula:
C14H14N2O
Molecular Weight:
226.2738
IUPAC Name:
3-ethyl-4-(1H-indol-2-yl)-5-methyl-1,2-oxazole
InChI:
InChI=1S/C14H14N2O/c1-3-11-14(9(2)17-16-11)13-8-10-6-4-5-7-12(10)15-13/h4-8,15H,3H2,1-2H3
InChI Key:
GHCMPCIHNKLYIM-UHFFFAOYSA-N
SMILES:
CCc1noc(c1c1cc2c([nH]1)cccc2)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.279g/mol
Monoisotopic Mass:
226.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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