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1279819-83-8 | 2-Piperidinecarboxylic acid, 1-phenyl-, hydrochloride (1:1)
CAS No: 1279819-83-8 Catalog No: AG000XMB MDL No:
Product Description
Catalog Number:
AG000XMB
Chemical Name:
2-Piperidinecarboxylic acid, 1-phenyl-, hydrochloride (1:1)
CAS Number:
1279819-83-8
Molecular Formula:
C12H16ClNO2
Molecular Weight:
241.7139
IUPAC Name:
1-phenylpiperidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H15NO2.ClH/c14-12(15)11-8-4-5-9-13(11)10-6-2-1-3-7-10;/h1-3,6-7,11H,4-5,8-9H2,(H,14,15);1H
InChI Key:
ICCHHUUOCKGKMK-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCN1c1ccccc1.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:
2
Isotope Atom Count:
0
Molecular Weight:
241.715g/mol
Monoisotopic Mass:
241.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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