1H-Indole-3-aceticacid, 5-cyano-2-methyl-


Chemical Name: 1H-Indole-3-aceticacid, 5-cyano-2-methyl-
CAS Number: 13218-36-5
Product Number: AG0010CP(AGN-PC-051LN4)
Synonyms:
MDL No:
Molecular Formula: C12H10N2O2
Molecular Weight: 214.2200

Identification/Properties


Computed Properties
Molecular Weight:
214.224g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
214.074g/mol
Monoisotopic Mass:
214.074g/mol
Topological Polar Surface Area:
76.9A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
333
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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