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1363166-44-2 | 1,3-Piperidinedicarboxylic acid, 3-(2-propen-1-yl)-, 3-ethyl 1-(phenylmethyl) ester
CAS No: 1363166-44-2 Catalog No: AG0011ME MDL No:MFCD21641322
Product Description
Catalog Number:
AG0011ME
Chemical Name:
1,3-Piperidinedicarboxylic acid, 3-(2-propen-1-yl)-, 3-ethyl 1-(phenylmethyl) ester
CAS Number:
1363166-44-2
Molecular Formula:
C19H25NO4
Molecular Weight:
331.4061
MDL Number:
MFCD21641322
IUPAC Name:
1-O-benzyl 3-O-ethyl 3-prop-2-enylpiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C19H25NO4/c1-3-11-19(17(21)23-4-2)12-8-13-20(15-19)18(22)24-14-16-9-6-5-7-10-16/h3,5-7,9-10H,1,4,8,11-15H2,2H3
InChI Key:
UNCPFQLCMLNOSJ-UHFFFAOYSA-N
SMILES:
C=CCC1(CCCN(C1)C(=O)OCc1ccccc1)C(=O)OCC
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.178g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.412g/mol
Monoisotopic Mass:
331.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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