Benzoic acid, 4-(1-pyrrolidinyl)-, methyl ester


Chemical Name: Benzoic acid, 4-(1-pyrrolidinyl)-, methyl ester
CAS Number: 129414-26-2
Product Number: AG0080IW(AGN-PC-0LVVNT)
Synonyms:
MDL No:
Molecular Formula: C12H15NO2
Molecular Weight: 205.2530

Identification/Properties


Computed Properties
Molecular Weight:
205.257g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
205.11g/mol
Monoisotopic Mass:
205.11g/mol
Topological Polar Surface Area:
29.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
216
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-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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