1H-Indole-7-carboxylic acid, 3-cyano-, methyl ester


Chemical Name: 1H-Indole-7-carboxylic acid, 3-cyano-, methyl ester
CAS Number: 443144-24-9
Product Number: AG00DILE(AGN-PC-007GE7)
Synonyms:
MDL No:
Molecular Formula: C11H8N2O2
Molecular Weight: 200.1934

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
200.197g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
200.059g/mol
Monoisotopic Mass:
200.059g/mol
Topological Polar Surface Area:
65.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
307
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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