3-(2,3-dihydroindol-1-yl)propanoic acid


Chemical Name: 3-(2,3-dihydroindol-1-yl)propanoic acid
CAS Number: 99855-02-4
Product Number: AG00IKCI(AGN-PC-0JUAQE)
Synonyms:
MDL No:
Molecular Formula: C11H13NO2
Molecular Weight: 191.2264

Identification/Properties


Computed Properties
Molecular Weight:
191.23g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
191.095g/mol
Monoisotopic Mass:
191.095g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
217
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:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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