1-benzylpyrrole-2-carboxylic acid


Chemical Name: 1-benzylpyrrole-2-carboxylic acid
CAS Number: 18159-22-3
Product Number: AG0022YT(AGN-PC-0037BT)
Synonyms:
MDL No:
Molecular Formula: C12H11NO2
Molecular Weight: 201.2212

Identification/Properties


Computed Properties
Molecular Weight:
201.225g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
201.079g/mol
Monoisotopic Mass:
201.079g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
224
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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