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1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-oxopiperazine-2-carboxylic acid

CAS No.:
1701778-09-7
Catalog Number:
AG01BKBO
Molecular Formula:
C20H18N2O5
Molecular Weight:
366.3673
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Product Description
Catalog Number:
AG01BKBO
Chemical Name:
1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-oxopiperazine-2-carboxylic acid
CAS Number:
1701778-09-7
Molecular Formula:
C20H18N2O5
Molecular Weight:
366.3673
MDL Number:
MFCD30225954
IUPAC Name:
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
InChI:
InChI=1S/C20H18N2O5/c23-18-10-22(17(9-21-18)19(24)25)20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,23)(H,24,25)
InChI Key:
RGXWBCPDGLOCRF-UHFFFAOYSA-N
SMILES:
O=C1NCC(N(C1)C(=O)OCC1c2ccccc2c2c1cccc2)C(=O)O
Properties
Complexity:
587  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.122g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
366.373g/mol
Monoisotopic Mass:
366.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties