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113826-40-7 | 3-Piperidinecarboxylic acid, 5-methoxy-, methyl ester
CAS No: 113826-40-7 Catalog No: AG0009TJ MDL No:
Product Description
Catalog Number:
AG0009TJ
Chemical Name:
3-Piperidinecarboxylic acid, 5-methoxy-, methyl ester
CAS Number:
113826-40-7
Molecular Formula:
C8H15NO3
Molecular Weight:
173.2096
IUPAC Name:
methyl 5-methoxypiperidine-3-carboxylate
InChI:
InChI=1S/C8H15NO3/c1-11-7-3-6(4-9-5-7)8(10)12-2/h6-7,9H,3-5H2,1-2H3
InChI Key:
BPBNOXOFPXLREH-UHFFFAOYSA-N
SMILES:
COC1CNCC(C1)C(=O)OC
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.212g/mol
Monoisotopic Mass:
173.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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