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310454-53-6 | 1,3-Piperidinedicarboxylic acid, 3-ethyl 1-(phenylmethyl) ester
CAS No: 310454-53-6 Catalog No: AG0031ZV MDL No:MFCD06657752
Product Description
Catalog Number:
AG0031ZV
Chemical Name:
1,3-Piperidinedicarboxylic acid, 3-ethyl 1-(phenylmethyl) ester
CAS Number:
310454-53-6
Molecular Formula:
C16H21NO4
Molecular Weight:
291.3422
MDL Number:
MFCD06657752
IUPAC Name:
1-O-benzyl 3-O-ethyl piperidine-1,3-dicarboxylate
InChI:
InChI=1S/C16H21NO4/c1-2-20-15(18)14-9-6-10-17(11-14)16(19)21-12-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChI Key:
NJRONXOELMBCSE-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCN(C1)C(=O)OCc1ccccc1
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:
2.3
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