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119228-22-7 | 3-Piperidinecarboxylic acid, phenyl ester, hydrochloride (1:1)
CAS No: 119228-22-7 Catalog No: AG000IEO MDL No:
Product Description
Catalog Number:
AG000IEO
Chemical Name:
3-Piperidinecarboxylic acid, phenyl ester, hydrochloride (1:1)
CAS Number:
119228-22-7
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
IUPAC Name:
phenyl piperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c14-12(10-5-4-8-13-9-10)15-11-6-2-1-3-7-11;/h1-3,6-7,10,13H,4-5,8-9H2;1H
InChI Key:
ZJPVBBUVAUDRQX-UHFFFAOYSA-N
SMILES:
O=C(C1CCCNC1)Oc1ccccc1.Cl
Properties
Complexity:
212
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:
2
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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