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16217-48-4 | Butanedioic acid, 2-(1-piperidinyl)-, 1,4-dimethyl ester
CAS No: 16217-48-4 Catalog No: AG001SUJ MDL No:
Product Description
Catalog Number:
AG001SUJ
Chemical Name:
Butanedioic acid, 2-(1-piperidinyl)-, 1,4-dimethyl ester
CAS Number:
16217-48-4
Molecular Formula:
C11H19NO4
Molecular Weight:
229.2729
IUPAC Name:
dimethyl 2-piperidin-1-ylbutanedioate
InChI:
InChI=1S/C11H19NO4/c1-15-10(13)8-9(11(14)16-2)12-6-4-3-5-7-12/h9H,3-8H2,1-2H3
InChI Key:
AAXAJRVDHFSOFM-UHFFFAOYSA-N
SMILES:
COC(=O)C(N1CCCCC1)CC(=O)OC
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.276g/mol
Monoisotopic Mass:
229.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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