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100050-03-1

100050-03-1 | 3-Piperidinecarboxylic acid, 1-(1-methylethyl)-, ethyl ester

CAS No: 100050-03-1 Catalog No: AG0000OE MDL No:MFCD13248694

Product Description

Catalog Number:
AG0000OE
Chemical Name:
3-Piperidinecarboxylic acid, 1-(1-methylethyl)-, ethyl ester
CAS Number:
100050-03-1
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
MDL Number:
MFCD13248694
IUPAC Name:
ethyl 1-propan-2-ylpiperidine-3-carboxylate
InChI:
InChI=1S/C11H21NO2/c1-4-14-11(13)10-6-5-7-12(8-10)9(2)3/h9-10H,4-8H2,1-3H3
InChI Key:
ILEWGMFFMZYVCG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN(C1)C(C)C

Properties

Complexity:
192  
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:
4  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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