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Home > Indoles and Oxindole > 917776-93-3
917776-93-3 | 1H-Isoindole, 3-ethoxy-1-methyl-1-phenyl-
CAS No: 917776-93-3 Catalog No: AG006CDH MDL No:
Product Description
Catalog Number:
AG006CDH
Chemical Name:
1H-Isoindole, 3-ethoxy-1-methyl-1-phenyl-
CAS Number:
917776-93-3
Molecular Formula:
C17H17NO
Molecular Weight:
251.3230
IUPAC Name:
3-ethoxy-1-methyl-1-phenylisoindole
InChI:
InChI=1S/C17H17NO/c1-3-19-16-14-11-7-8-12-15(14)17(2,18-16)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3
InChI Key:
NNZJKFDJGWJIAO-UHFFFAOYSA-N
SMILES:
CCOC1=NC(c2c1cccc2)(C)c1ccccc1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.329g/mol
Monoisotopic Mass:
251.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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