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1190314-13-6 | 4-Piperidinecarboxylic acid, 4-methoxy-, methyl ester, hydrochloride (1:1)
CAS No: 1190314-13-6 Catalog No: AG000HLJ MDL No:MFCD12962559
Product Description
Catalog Number:
AG000HLJ
Chemical Name:
4-Piperidinecarboxylic acid, 4-methoxy-, methyl ester, hydrochloride (1:1)
CAS Number:
1190314-13-6
Molecular Formula:
C8H16ClNO3
Molecular Weight:
209.6705
MDL Number:
MFCD12962559
IUPAC Name:
methyl 4-methoxypiperidine-4-carboxylate;hydrochloride
InChI:
InChI=1S/C8H15NO3.ClH/c1-11-7(10)8(12-2)3-5-9-6-4-8;/h9H,3-6H2,1-2H3;1H
InChI Key:
NAWYASCTCVIUMY-UHFFFAOYSA-N
SMILES:
COC1(CCNCC1)C(=O)OC.Cl
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.082g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.67g/mol
Monoisotopic Mass:
209.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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