Home Other Building Blocks 4-(3-methylpyrrolidin-1-yl)benzoic acid

4-(3-methylpyrrolidin-1-yl)benzoic acid

CAS No.:
1291893-97-4
Catalog Number:
AG01DV7D
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
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Product Description
Catalog Number:
AG01DV7D
Chemical Name:
4-(3-methylpyrrolidin-1-yl)benzoic acid
CAS Number:
1291893-97-4
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
MDL Number:
MFCD14601106
IUPAC Name:
4-(3-methylpyrrolidin-1-yl)benzoic acid
InChI:
InChI=1S/C12H15NO2/c1-9-6-7-13(8-9)11-4-2-10(3-5-11)12(14)15/h2-5,9H,6-8H2,1H3,(H,14,15)
InChI Key:
TWILPNYGUYVPFD-UHFFFAOYSA-N
SMILES:
CC1CCN(C1)c1ccc(cc1)C(=O)O
Properties
Complexity:
234  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties