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1262988-77-1 | 4-Piperidinecarboxylic acid, 4-hydroxy-1-(phenylmethyl)-, hydrochloride (1:1)
CAS No: 1262988-77-1 Catalog No: AG000SHD MDL No:
Product Description
Catalog Number:
AG000SHD
Chemical Name:
4-Piperidinecarboxylic acid, 4-hydroxy-1-(phenylmethyl)-, hydrochloride (1:1)
CAS Number:
1262988-77-1
Molecular Formula:
C13H18ClNO3
Molecular Weight:
271.7399
IUPAC Name:
1-benzyl-4-hydroxypiperidine-4-carboxylic acid;hydrochloride
InChI:
InChI=1S/C13H17NO3.ClH/c15-12(16)13(17)6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5,17H,6-10H2,(H,15,16);1H
InChI Key:
AZCDHMXJLATEFC-UHFFFAOYSA-N
SMILES:
OC(=O)C1(O)CCN(CC1)Cc1ccccc1.Cl
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.741g/mol
Monoisotopic Mass:
271.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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