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Home > Indoles and Oxindole > 21987-25-7
21987-25-7 | 5-Methoxy-3-methyl-1H-indole
CAS No: 21987-25-7 Catalog No: AG006Y75 MDL No:MFCD13178623
Product Description
Catalog Number:
AG006Y75
Chemical Name:
5-Methoxy-3-methyl-1H-indole
CAS Number:
21987-25-7
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD13178623
IUPAC Name:
5-methoxy-3-methyl-1H-indole
InChI:
InChI=1S/C10H11NO/c1-7-6-11-10-4-3-8(12-2)5-9(7)10/h3-6,11H,1-2H3
InChI Key:
YSOFHURJVUIKMU-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)c[nH]2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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