1H-Pyrrole-3-carboxylic acid, ethyl ester


Chemical Name: 1H-Pyrrole-3-carboxylic acid, ethyl ester
CAS Number: 37964-17-3
Product Number: AG00BXQM(AGN-PC-00KQTS)
Synonyms:
MDL No:
Molecular Formula: C7H9NO2
Molecular Weight: 139.1519

Identification/Properties


Properties
MP:
118℃
BP:
291.8±13.0℃ (760 Torr)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
139.154g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
139.063g/mol
Monoisotopic Mass:
139.063g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
125
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:
H302-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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