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116885-98-4 | 1-Piperidinebutanoic acid, ethyl ester
CAS No: 116885-98-4 Catalog No: AG000DD1 MDL No:
Product Description
Catalog Number:
AG000DD1
Chemical Name:
1-Piperidinebutanoic acid, ethyl ester
CAS Number:
116885-98-4
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
IUPAC Name:
ethyl 4-piperidin-1-ylbutanoate
InChI:
InChI=1S/C11H21NO2/c1-2-14-11(13)7-6-10-12-8-4-3-5-9-12/h2-10H2,1H3
InChI Key:
APFAWTXPJCYORE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCN1CCCCC1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.294g/mol
Monoisotopic Mass:
199.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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