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Home > Indoles and Oxindole > 19013-49-1
19013-49-1 | 1H-Indole, 2-ethyl-3-methyl-
CAS No: 19013-49-1 Catalog No: AG002ECR MDL No:
Product Description
Catalog Number:
AG002ECR
Chemical Name:
1H-Indole, 2-ethyl-3-methyl-
CAS Number:
19013-49-1
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
2-ethyl-3-methyl-1H-indole
InChI:
InChI=1S/C11H13N/c1-3-10-8(2)9-6-4-5-7-11(9)12-10/h4-7,12H,3H2,1-2H3
InChI Key:
MCTKUHAXKKOMSW-UHFFFAOYSA-N
SMILES:
CCc1[nH]c2c(c1C)cccc2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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