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Home > Indoles and Oxindole > 88737-43-3
88737-43-3 | 1H-Indole, 3-methyl-2-[4-(oxiranylmethoxy)phenyl]-
CAS No: 88737-43-3 Catalog No: AG004D1Y MDL No:
Product Description
Catalog Number:
AG004D1Y
Chemical Name:
1H-Indole, 3-methyl-2-[4-(oxiranylmethoxy)phenyl]-
CAS Number:
88737-43-3
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
IUPAC Name:
3-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]-1H-indole
InChI:
InChI=1S/C18H17NO2/c1-12-16-4-2-3-5-17(16)19-18(12)13-6-8-14(9-7-13)20-10-15-11-21-15/h2-9,15,19H,10-11H2,1H3
InChI Key:
RWRILKSHVRVBQZ-UHFFFAOYSA-N
SMILES:
Cc1c([nH]c2c1cccc2)c1ccc(cc1)OCC1CO1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.339g/mol
Monoisotopic Mass:
279.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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