Home Other Building Blocks 2-(piperidin-4-yl)benzoic acid hydrochloride

2-(piperidin-4-yl)benzoic acid hydrochloride

CAS No.:
1955554-64-9
Catalog Number:
AG01C5EH
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
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Product Description
Catalog Number:
AG01C5EH
Chemical Name:
2-(piperidin-4-yl)benzoic acid hydrochloride
CAS Number:
1955554-64-9
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
MDL Number:
MFCD08460728
IUPAC Name:
2-piperidin-4-ylbenzoic acid;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c14-12(15)11-4-2-1-3-10(11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2,(H,14,15);1H
InChI Key:
SNGQRZODSGMXJW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1C1CCNCC1.Cl
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties