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831169-56-3 | Butanoic acid, 4-piperidinylmethyl ester
CAS No: 831169-56-3 Catalog No: AG004WRN MDL No:
Product Description
Catalog Number:
AG004WRN
Chemical Name:
Butanoic acid, 4-piperidinylmethyl ester
CAS Number:
831169-56-3
Molecular Formula:
C10H19NO2
Molecular Weight:
185.2634
IUPAC Name:
piperidin-4-ylmethyl butanoate
InChI:
InChI=1S/C10H19NO2/c1-2-3-10(12)13-8-9-4-6-11-7-5-9/h9,11H,2-8H2,1H3
InChI Key:
SIFZKUWPCAUHMU-UHFFFAOYSA-N
SMILES:
CCCC(=O)OCC1CCNCC1
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.267g/mol
Monoisotopic Mass:
185.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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