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159299-93-1 | 1,3-Piperidinedicarboxylic acid, 4-oxo-, 3-methyl 1-(phenylmethyl) ester
CAS No: 159299-93-1 Catalog No: AG001C3W MDL No:MFCD09910357
Product Description
Catalog Number:
AG001C3W
Chemical Name:
1,3-Piperidinedicarboxylic acid, 4-oxo-, 3-methyl 1-(phenylmethyl) ester
CAS Number:
159299-93-1
Molecular Formula:
C15H17NO5
Molecular Weight:
291.2992
MDL Number:
MFCD09910357
IUPAC Name:
1-O-benzyl 3-O-methyl 4-oxopiperidine-1,3-dicarboxylate
InChI:
InChI=1S/C15H17NO5/c1-20-14(18)12-9-16(8-7-13(12)17)15(19)21-10-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3
InChI Key:
IMXBDLLIOVQVIF-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(CCC1=O)C(=O)OCc1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.303g/mol
Monoisotopic Mass:
291.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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