1H-Isoindole-1,2(3H)-dicarboxylic acid, 2-(1,1-dimethylethyl) ester


Chemical Name: 1H-Isoindole-1,2(3H)-dicarboxylic acid, 2-(1,1-dimethylethyl) ester
CAS Number: 221352-46-1
Product Number: AG0037TS(AGN-PC-053B5O)
Synonyms:
MDL No:
Molecular Formula: C14H17NO4
Molecular Weight: 263.2891

Identification/Properties


Computed Properties
Molecular Weight:
263.293g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
263.116g/mol
Monoisotopic Mass:
263.116g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
374
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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