Home Other Building Blocks 5-methyl-2-(pyrrolidin-1-yl)benzoic acid

5-methyl-2-(pyrrolidin-1-yl)benzoic acid

CAS No.:
689142-42-5
Catalog Number:
AG01AJ2F
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
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Product Description
Catalog Number:
AG01AJ2F
Chemical Name:
5-methyl-2-(pyrrolidin-1-yl)benzoic acid
CAS Number:
689142-42-5
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD16783219
IUPAC Name:
5-methyl-2-pyrrolidin-1-ylbenzoic acid
InChI:
InChI=1S/C12H15NO2/c1-9-4-5-11(10(8-9)12(14)15)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)
InChI Key:
RZFSNMBESKENTH-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)O)N1CCCC1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties