1-acetyl-2,3-dihydroindole-5-carboxylic acid


Chemical Name: 1-acetyl-2,3-dihydroindole-5-carboxylic acid
CAS Number: 153247-93-9
Product Number: AG00AC53(AGN-PC-0LPN67)
Synonyms:
MDL No: MFCD03011730
Molecular Formula: C11H11NO3
Molecular Weight: 205.2099

Identification/Properties


Computed Properties
Molecular Weight:
205.213g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
205.074g/mol
Monoisotopic Mass:
205.074g/mol
Topological Polar Surface Area:
57.6A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
290
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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