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13049-77-9 | 3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester, hydrochloride (1:1)
CAS No: 13049-77-9 Catalog No: AG000UHQ MDL No:MFCD00050661
Product Description
Catalog Number:
AG000UHQ
Chemical Name:
3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester, hydrochloride (1:1)
CAS Number:
13049-77-9
Molecular Formula:
C8H14ClNO3
Molecular Weight:
207.6547
MDL Number:
MFCD00050661
IUPAC Name:
methyl 1-methyl-4-oxopiperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C8H13NO3.ClH/c1-9-4-3-7(10)6(5-9)8(11)12-2;/h6H,3-5H2,1-2H3;1H
InChI Key:
XZHNOMMEHHXDTP-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(C)CCC1=O.Cl
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.654g/mol
Monoisotopic Mass:
207.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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