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Home > Indoles and Oxindole > 72117-82-9
72117-82-9 | 1H-Indole, 5-methoxy-1,2,3-trimethyl-
CAS No: 72117-82-9 Catalog No: AG005WIS MDL No:
Product Description
Catalog Number:
AG005WIS
Chemical Name:
1H-Indole, 5-methoxy-1,2,3-trimethyl-
CAS Number:
72117-82-9
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
IUPAC Name:
5-methoxy-1,2,3-trimethylindole
InChI:
InChI=1S/C12H15NO/c1-8-9(2)13(3)12-6-5-10(14-4)7-11(8)12/h5-7H,1-4H3
InChI Key:
ZQGCXRFUXAMESW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)c(n2C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
14.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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