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123380-87-0 | 1H-Indole-3-acetic acid, 6-methoxy-, methyl ester
CAS No: 123380-87-0 Catalog No: AG000KGY MDL No:
Product Description
Catalog Number:
AG000KGY
Chemical Name:
1H-Indole-3-acetic acid, 6-methoxy-, methyl ester
CAS Number:
123380-87-0
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
IUPAC Name:
methyl 2-(6-methoxy-1H-indol-3-yl)acetate
InChI:
InChI=1S/C12H13NO3/c1-15-9-3-4-10-8(5-12(14)16-2)7-13-11(10)6-9/h3-4,6-7,13H,5H2,1-2H3
InChI Key:
KKNFZZBGRBWCJZ-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c[nH]c2c1ccc(c2)OC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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