Home Other Building Blocks 4-[(4-hydroxypiperidin-1-yl)methyl]benzoic acid

4-[(4-hydroxypiperidin-1-yl)methyl]benzoic acid

CAS No.:
1040346-47-1
Catalog Number:
AG019VZP
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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Product Description
Catalog Number:
AG019VZP
Chemical Name:
4-[(4-hydroxypiperidin-1-yl)methyl]benzoic acid
CAS Number:
1040346-47-1
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD11123540
IUPAC Name:
4-[(4-hydroxypiperidin-1-yl)methyl]benzoic acid
InChI:
InChI=1S/C13H17NO3/c15-12-5-7-14(8-6-12)9-10-1-3-11(4-2-10)13(16)17/h1-4,12,15H,5-9H2,(H,16,17)
InChI Key:
KYAKCEFHQBQOIA-UHFFFAOYSA-N
SMILES:
OC1CCN(CC1)Cc1ccc(cc1)C(=O)O
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties