1H-Indole-3-carboxylic acid, 1-(phenylmethyl)-


Chemical Name: 1H-Indole-3-carboxylic acid, 1-(phenylmethyl)-
CAS Number: 27018-76-4
Product Number: AG003E0C(AGN-PC-0JKNA7)
Synonyms:
MDL No: MFCD00057094
Molecular Formula: C16H13NO2
Molecular Weight: 251.2799

Identification/Properties


Properties
MP:
195-196℃(Solv: ethanol (64-17-5))
BP:
496.3°C at 760 mmHg
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
251.285g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
251.095g/mol
Monoisotopic Mass:
251.095g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
325
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


NMR Spectrum


Other Analytical Data


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