1H-Indole-3-carboxylic acid, 1-ethyl-5-hydroxy-2-methyl-, ethyl ester


Chemical Name: 1H-Indole-3-carboxylic acid, 1-ethyl-5-hydroxy-2-methyl-, ethyl ester
CAS Number: 49742-74-7
Product Number: AG00DJ06(AGN-PC-0JTWCT)
Synonyms:
MDL No:
Molecular Formula: C14H17NO3
Molecular Weight: 247.2897

Identification/Properties


Computed Properties
Molecular Weight:
247.294g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
247.121g/mol
Monoisotopic Mass:
247.121g/mol
Topological Polar Surface Area:
51.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
307
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


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