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126401-22-7 | 1,2-Piperidinedicarboxylic acid, 2-ethyl 1-(phenylmethyl) ester
CAS No: 126401-22-7 Catalog No: AG000SRI MDL No:MFCD09909501
Product Description
Catalog Number:
AG000SRI
Chemical Name:
1,2-Piperidinedicarboxylic acid, 2-ethyl 1-(phenylmethyl) ester
CAS Number:
126401-22-7
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD09909501
IUPAC Name:
1-O-benzyl 2-O-ethyl piperidine-1,2-dicarboxylate
InChI:
InChI=1S/C16H21NO4/c1-2-20-15(18)14-10-6-7-11-17(14)16(19)21-12-13-8-4-3-5-9-13/h3-5,8-9,14H,2,6-7,10-12H2,1H3
InChI Key:
OYIRYYMFKGTFJE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCCN1C(=O)OCc1ccccc1
NSC Number:
619923
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.347g/mol
Monoisotopic Mass:
291.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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