1H-Isoindole-1-carboxylic acid, 2,3-dihydro-


Chemical Name: 1H-Isoindole-1-carboxylic acid, 2,3-dihydro-
CAS Number: 66938-02-1
Product Number: AG00FCNR(AGN-PC-00M7PI)
Synonyms:
MDL No:
Molecular Formula: C9H9NO2
Molecular Weight: 163.1733

Identification/Properties


Computed Properties
Molecular Weight:
163.176g/mol
XLogP3:
-1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
163.063g/mol
Monoisotopic Mass:
163.063g/mol
Topological Polar Surface Area:
49.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
193
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:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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