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116049-23-1

116049-23-1 | 2-Piperidinecarboxylic acid, 4-oxo-, hydrochloride, (S)- (9CI)

CAS No: 116049-23-1 Catalog No: AG000BHG MDL No:MFCD12912671

Product Description

Catalog Number:
AG000BHG
Chemical Name:
2-Piperidinecarboxylic acid, 4-oxo-, hydrochloride, (S)- (9CI)
CAS Number:
116049-23-1
Molecular Formula:
C6H10ClNO3
Molecular Weight:
179.6015
MDL Number:
MFCD12912671
IUPAC Name:
(2S)-4-oxopiperidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C6H9NO3.ClH/c8-4-1-2-7-5(3-4)6(9)10;/h5,7H,1-3H2,(H,9,10);1H/t5-;/m0./s1
InChI Key:
OFWXKKQPXHHGRH-JEDNCBNOSA-N
SMILES:
O=C1CCN[C@@H](C1)C(=O)O.Cl

Properties

Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
179.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
179.6g/mol
Monoisotopic Mass:
179.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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