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2044705-22-6 | Benzoic acid, 4-(3-piperidinyl)-, hydrochloride (1:1)
CAS No: 2044705-22-6 Catalog No: AG0029IH MDL No:
Product Description
Catalog Number:
AG0029IH
Chemical Name:
Benzoic acid, 4-(3-piperidinyl)-, hydrochloride (1:1)
CAS Number:
2044705-22-6
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
IUPAC Name:
4-piperidin-3-ylbenzoic acid;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c14-12(15)10-5-3-9(4-6-10)11-2-1-7-13-8-11;/h3-6,11,13H,1-2,7-8H2,(H,14,15);1H
InChI Key:
FTAAPDIIUFMVKX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)C1CCCNC1.Cl
Properties
Complexity:
222
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:
1
Undefined Bond Stereocenter Count:
0
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