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100050-04-2 | 3-Piperidinecarboxylic acid, 1-propyl-, ethyl ester
CAS No: 100050-04-2 Catalog No: AG0000OD MDL No:
Product Description
Catalog Number:
AG0000OD
Chemical Name:
3-Piperidinecarboxylic acid, 1-propyl-, ethyl ester
CAS Number:
100050-04-2
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
IUPAC Name:
ethyl 1-propylpiperidine-3-carboxylate
InChI:
InChI=1S/C11H21NO2/c1-3-7-12-8-5-6-10(9-12)11(13)14-4-2/h10H,3-9H2,1-2H3
InChI Key:
BNVQQLWILKDWEI-UHFFFAOYSA-N
SMILES:
CCCN1CCCC(C1)C(=O)OCC
Properties
Complexity:
182
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:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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