1H-Pyrrole-3-carboxylic acid, 2-methyl-, methyl ester


Chemical Name: 1H-Pyrrole-3-carboxylic acid, 2-methyl-, methyl ester
CAS Number: 3168-85-2
Product Number: AG00CKS2(AGN-PC-0NIM5R)
Synonyms:
MDL No:
Molecular Formula: C7H9NO2
Molecular Weight: 139.1519

Identification/Properties


Properties
MP:
63-64℃
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
139.154g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
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:
136
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:
H315-H319
Precautionary Statements:
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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