200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 158861-24-6
158861-24-6 | Benzoic acid, 3-(1-piperidinylmethyl)-
CAS No: 158861-24-6 Catalog No: AG001QZ8 MDL No:MFCD05841589
Product Description
Catalog Number:
AG001QZ8
Chemical Name:
Benzoic acid, 3-(1-piperidinylmethyl)-
CAS Number:
158861-24-6
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD05841589
IUPAC Name:
3-(piperidin-1-ylmethyl)benzoic acid
InChI:
InChI=1S/C13H17NO2/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H,15,16)
InChI Key:
UIXWGRXBYZGOQK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)CN1CCCCC1
Properties
Complexity:
236
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:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.