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158922-07-7 | 1,3-Piperidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester
CAS No: 158922-07-7 Catalog No: AG001R0G MDL No:MFCD00673789
Product Description
Catalog Number:
AG001R0G
Chemical Name:
1,3-Piperidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester
CAS Number:
158922-07-7
Molecular Formula:
C21H20NO4-
Molecular Weight:
350.3878
MDL Number:
MFCD00673789
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
InChI:
InChI=1S/C21H21NO4/c23-20(24)14-6-5-11-22(12-14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,5-6,11-13H2,(H,23,24)
InChI Key:
FINXGQXNIBNREL-UHFFFAOYSA-N
SMILES:
[O-]C(=O)C1CCCN(C1)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.147g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
351.402g/mol
Monoisotopic Mass:
351.147g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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