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1266522-92-2 | 4-Piperidinecarboxylic acid, 3-oxo-, methyl ester, hydrochloride (1:1)
CAS No: 1266522-92-2 Catalog No: AG000T1D MDL No:MFCD23135817
Product Description
Catalog Number:
AG000T1D
Chemical Name:
4-Piperidinecarboxylic acid, 3-oxo-, methyl ester, hydrochloride (1:1)
CAS Number:
1266522-92-2
Molecular Formula:
C7H12ClNO3
Molecular Weight:
193.6281
MDL Number:
MFCD23135817
IUPAC Name:
methyl 3-oxopiperidine-4-carboxylate;hydrochloride
InChI:
InChI=1S/C7H11NO3.ClH/c1-11-7(10)5-2-3-8-4-6(5)9;/h5,8H,2-4H2,1H3;1H
InChI Key:
AMWWTJSYWYVERE-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCNCC1=O.Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.627g/mol
Monoisotopic Mass:
193.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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