Home Other Building Blocks 2-Methyl-3-(1-piperidinyl)benzoic Acid

2-Methyl-3-(1-piperidinyl)benzoic Acid

CAS No.:
886501-22-0
Catalog Number:
AG003HM7
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
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Product Description
Catalog Number:
AG003HM7
Chemical Name:
2-Methyl-3-(1-piperidinyl)benzoic Acid
CAS Number:
886501-22-0
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD06740060
IUPAC Name:
2-methyl-3-piperidin-1-ylbenzoic acid
InChI:
InChI=1S/C13H17NO2/c1-10-11(13(15)16)6-5-7-12(10)14-8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3,(H,15,16)
InChI Key:
RZQWNANFHHDHHJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C)N1CCCCC1
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties