1H-Pyrrole-1-carboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) ester


Chemical Name: 1H-Pyrrole-1-carboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) ester
CAS Number: 135884-31-0
Product Number: AG0038YA(AGN-PC-0KK6HV)
Synonyms:
MDL No: MFCD01318939
Molecular Formula: C9H14BNO4
Molecular Weight: 211.0228

Identification/Properties


Computed Properties
Molecular Weight:
211.024g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
211.102g/mol
Monoisotopic Mass:
211.102g/mol
Topological Polar Surface Area:
71.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
239
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


Other Analytical Data


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