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144265-37-2 | 1H-Indole-2-acetic acid, 5-methoxy-1-methyl-, methyl ester
CAS No: 144265-37-2 Catalog No: AG001J7S MDL No:
Product Description
Catalog Number:
AG001J7S
Chemical Name:
1H-Indole-2-acetic acid, 5-methoxy-1-methyl-, methyl ester
CAS Number:
144265-37-2
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
methyl 2-(5-methoxy-1-methylindol-2-yl)acetate
InChI:
InChI=1S/C13H15NO3/c1-14-10(8-13(15)17-3)6-9-7-11(16-2)4-5-12(9)14/h4-7H,8H2,1-3H3
InChI Key:
JRDJAQPHBUHICA-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cc2c(n1C)ccc(c2)OC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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