1H-Indole-3-propanoic acid, 5-methoxy-


Chemical Name: 1H-Indole-3-propanoic acid, 5-methoxy-
CAS Number: 39547-16-5
Product Number: AG0038RX(AGN-PC-0JNG93)
Synonyms:
MDL No:
Molecular Formula: C12H13NO3
Molecular Weight: 219.2365

Identification/Properties


Computed Properties
Molecular Weight:
219.24g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
219.09g/mol
Monoisotopic Mass:
219.09g/mol
Topological Polar Surface Area:
62.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
257
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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