1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-


Chemical Name: 1H-Isoindole-1-acetic acid, 2,3-dihydro-3-oxo-
CAS Number: 3849-22-7
Product Number: AG00C00S(AGN-PC-0JP5R4)
Synonyms:
MDL No:
Molecular Formula: C10H9NO3
Molecular Weight: 191.1834

Identification/Properties


Properties
BP:
506.5°C at 760 mmHg
Computed Properties
Molecular Weight:
191.186g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
191.058g/mol
Monoisotopic Mass:
191.058g/mol
Topological Polar Surface Area:
66.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
264
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

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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