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Home > Indoles and Oxindole > 840537-99-7
840537-99-7 | 4-(Benzyloxy);-6-methyl-1H-indole
CAS No: 840537-99-7 Catalog No: AG0050KE MDL No:MFCD08690117
Product Description
Catalog Number:
AG0050KE
Chemical Name:
4-(Benzyloxy);-6-methyl-1H-indole
CAS Number:
840537-99-7
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
MDL Number:
MFCD08690117
IUPAC Name:
6-methyl-4-phenylmethoxy-1H-indole
InChI:
InChI=1S/C16H15NO/c1-12-9-15-14(7-8-17-15)16(10-12)18-11-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3
InChI Key:
MSBBKVWWPURXKR-UHFFFAOYSA-N
SMILES:
Cc1cc(OCc2ccccc2)c2c(c1)[nH]cc2
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.115g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.302g/mol
Monoisotopic Mass:
237.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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