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Home > Indoles and Oxindole > 58697-59-9
58697-59-9 | 1H-Indole, 2-(4-methoxy-3-methylphenyl)-
CAS No: 58697-59-9 Catalog No: AG00IAFN MDL No:MFCD05224924
Product Description
Catalog Number:
AG00IAFN
Chemical Name:
1H-Indole, 2-(4-methoxy-3-methylphenyl)-
CAS Number:
58697-59-9
Molecular Formula:
C16H15NO
Molecular Weight:
237.2964
MDL Number:
MFCD05224924
IUPAC Name:
2-(4-methoxy-3-methylphenyl)-1H-indole
InChI:
InChI=1S/C16H15NO/c1-11-9-13(7-8-16(11)18-2)15-10-12-5-3-4-6-14(12)17-15/h3-10,17H,1-2H3
InChI Key:
DJJHGWVHJAQWFH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C)c1cc2c([nH]1)cccc2
Properties
Complexity:
280
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:
2
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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