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177990-33-9 | 1,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
CAS No: 177990-33-9 Catalog No: AG0025P0 MDL No:MFCD11975545
Product Description
Catalog Number:
AG0025P0
Chemical Name:
1,4-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 4-(phenylmethyl) ester
CAS Number:
177990-33-9
Molecular Formula:
C18H25NO4
Molecular Weight:
319.3954
MDL Number:
MFCD11975545
IUPAC Name:
4-O-benzyl 1-O-tert-butyl piperidine-1,4-dicarboxylate
InChI:
InChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-11-9-15(10-12-19)16(20)22-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChI Key:
QLGMYLVKJUYFDY-UHFFFAOYSA-N
SMILES:
O=C(C1CCN(CC1)C(=O)OC(C)(C)C)OCc1ccccc1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.401g/mol
Monoisotopic Mass:
319.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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