Home Halogens 4-Piperidinecarboxylic acid, 1-(chlorocarbonyl)-, methyl ester (9CI)

4-Piperidinecarboxylic acid, 1-(chlorocarbonyl)-, methyl ester (9CI)

CAS No.:
86264-79-1
Catalog Number:
AG00H3G2
Molecular Formula:
C8H12ClNO3
Molecular Weight:
205.6388
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Product Description
Catalog Number:
AG00H3G2
Chemical Name:
4-Piperidinecarboxylic acid, 1-(chlorocarbonyl)-, methyl ester (9CI)
CAS Number:
86264-79-1
Molecular Formula:
C8H12ClNO3
Molecular Weight:
205.6388
MDL Number:
MFCD09743774
IUPAC Name:
methyl 1-carbonochloridoylpiperidine-4-carboxylate
InChI:
InChI=1S/C8H12ClNO3/c1-13-7(11)6-2-4-10(5-3-6)8(9)12/h6H,2-5H2,1H3
InChI Key:
YDXGQWSBJUOSIC-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)C(=O)Cl
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.638g/mol
Monoisotopic Mass:
205.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties