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66115-58-0 | 1H-Indole, 3-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxy-
CAS No: 66115-58-0 Catalog No: AG006JPK MDL No:
Product Description
Catalog Number:
AG006JPK
Chemical Name:
1H-Indole, 3-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxy-
CAS Number:
66115-58-0
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
3-(4,5-dihydro-1H-imidazol-2-yl)-5-methoxy-1H-indole
InChI:
InChI=1S/C12H13N3O/c1-16-8-2-3-11-9(6-8)10(7-15-11)12-13-4-5-14-12/h2-3,6-7,15H,4-5H2,1H3,(H,13,14)
InChI Key:
CGKLYUFBQMPEAY-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(c[nH]2)C1=NCCN1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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