1H-Pyrrole-2-propanoic acid, methyl ester


Chemical Name: 1H-Pyrrole-2-propanoic acid, methyl ester
CAS Number: 69917-80-2
Product Number: AG00FDS1(AGN-PC-002BLN)
Synonyms:
MDL No:
Molecular Formula: C8H11NO2
Molecular Weight: 153.1784

Identification/Properties


Computed Properties
Molecular Weight:
153.181g/mol
XLogP3:
0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
153.079g/mol
Monoisotopic Mass:
153.079g/mol
Topological Polar Surface Area:
42.1A^2
Heavy Atom Count:
11
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#:
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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