1H-Pyrrole-1-carboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester


Chemical Name: 1H-Pyrrole-1-carboxylic acid, 2-ethynyl-, 1,1-dimethylethyl ester
CAS Number: 467435-75-2
Product Number: AG00DDHS(AGN-PC-05J397)
Synonyms:
MDL No:
Molecular Formula: C11H13NO2
Molecular Weight: 191.22642

Identification/Properties


Computed Properties
Molecular Weight:
191.23g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
191.095g/mol
Monoisotopic Mass:
191.095g/mol
Topological Polar Surface Area:
31.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
269
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

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NMR Spectrum


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