methyl 5-formyl-1H-pyrrole-2-carboxylate


Chemical Name: methyl 5-formyl-1H-pyrrole-2-carboxylate
CAS Number: 1197-13-3
Product Number: AG000PH1(AGN-PC-0JOW9I)
Synonyms:
MDL No:
Molecular Formula: C7H7NO3
Molecular Weight: 153.1354

Identification/Properties


Computed Properties
Molecular Weight:
153.137g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
153.043g/mol
Monoisotopic Mass:
153.043g/mol
Topological Polar Surface Area:
59.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
169
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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