1H-Indole-1,3-dicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester


Chemical Name: 1H-Indole-1,3-dicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester
CAS Number: 338760-26-2
Product Number: AG00I6OH(AGN-PC-05IZ42)
Synonyms:
MDL No:
Molecular Formula: C15H17NO4
Molecular Weight: 275.2998

Identification/Properties


Computed Properties
Molecular Weight:
275.304g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
275.116g/mol
Monoisotopic Mass:
275.116g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
388
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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