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122552-10-7 | Hexanoic acid, 2-hydroxy-3-(1-piperidinyl)propyl ester
CAS No: 122552-10-7 Catalog No: AG0017G7 MDL No:
Product Description
Catalog Number:
AG0017G7
Chemical Name:
Hexanoic acid, 2-hydroxy-3-(1-piperidinyl)propyl ester
CAS Number:
122552-10-7
Molecular Formula:
C14H27NO3
Molecular Weight:
257.3691
IUPAC Name:
(2-hydroxy-3-piperidin-1-ylpropyl) hexanoate
InChI:
InChI=1S/C14H27NO3/c1-2-3-5-8-14(17)18-12-13(16)11-15-9-6-4-7-10-15/h13,16H,2-12H2,1H3
InChI Key:
VRXXGRQJKVYNPV-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)OCC(CN1CCCCC1)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.199g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.374g/mol
Monoisotopic Mass:
257.199g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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