1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester


Chemical Name: 1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester
CAS Number: 2199-59-9
Product Number: AG0034VP(AGN-PC-076SPM)
Synonyms:
MDL No:
Molecular Formula: C10H13NO3
Molecular Weight: 195.2151

Identification/Properties


Properties
MP:
167 °C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
195.218g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
195.09g/mol
Monoisotopic Mass:
195.09g/mol
Topological Polar Surface Area:
59.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
229
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/5-FORMYL-24-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC_ACID_ETHYL_EST-2199-59-9-hnmr.pdf

Other Analytical Data


POTHER/5-FORMYL-24-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC_ACID_ETHYL_EST-2199-59-9-hplc.pdf

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