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1217628-46-0 | 1,3-Piperazinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester, (3S)-
CAS No: 1217628-46-0 Catalog No: AG0015U3 MDL No:
Product Description
Catalog Number:
AG0015U3
Chemical Name:
1,3-Piperazinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester, (3S)-
CAS Number:
1217628-46-0
Molecular Formula:
C20H19N2O4-
Molecular Weight:
351.3759
IUPAC Name:
(2S)-4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid
InChI:
InChI=1S/C20H20N2O4/c23-19(24)18-11-22(10-9-21-18)20(25)26-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18,21H,9-12H2,(H,23,24)/t18-/m0/s1
InChI Key:
MVXOLCRCKMWZCB-SFHVURJKSA-N
SMILES:
[O-]C(=O)[C@H]1NCCN(C1)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
352.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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