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


Chemical Name: 1H-Pyrrole-1-carboxylic acid, 1,1-dimethylethyl ester
CAS Number: 5176-27-2
Product Number: AG0032I6(AGN-PC-0JU8L5)
Synonyms:
MDL No:
Molecular Formula: C9H13NO2
Molecular Weight: 167.2050

Identification/Properties


Properties
BP:
223.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.4685(lit.)
Computed Properties
Molecular Weight:
167.208g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
167.095g/mol
Monoisotopic Mass:
167.095g/mol
Topological Polar Surface Area:
31.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
166
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


PNMR/tert-Butyl_pyrrole-1-carboxylate-5176-27-2-NMR.pdf

Other Analytical Data


POTHER/tert-Butyl_pyrrole-1-carboxylate-5176-27-2-gc.pdf

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