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928329-99-1

928329-99-1 | 1H-Indole, 5-methoxy-3-[(1E)-2-phenylethenyl]-

CAS No: 928329-99-1 Catalog No: AG0068AT MDL No:

Product Description

Catalog Number:
AG0068AT
Chemical Name:
1H-Indole, 5-methoxy-3-[(1E)-2-phenylethenyl]-
CAS Number:
928329-99-1
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
5-methoxy-3-(2-phenylethenyl)-1H-indole
InChI:
InChI=1S/C17H15NO/c1-19-15-9-10-17-16(11-15)14(12-18-17)8-7-13-5-3-2-4-6-13/h2-12,18H,1H3
InChI Key:
VEOQIZANYWVZKM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(/C=C/c1ccccc1)c[nH]2

Properties

Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
4.3  

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