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180576-05-0 | 1-Piperazineacetic acid, 4-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS No: 180576-05-0 Catalog No: AG002249 MDL No:MFCD00270202
Product Description
Catalog Number:
AG002249
Chemical Name:
1-Piperazineacetic acid, 4-[(9H-fluoren-9-ylmethoxy)carbonyl]-
CAS Number:
180576-05-0
Molecular Formula:
C21H22N2O4
Molecular Weight:
366.4104
MDL Number:
MFCD00270202
IUPAC Name:
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]acetic acid
InChI:
InChI=1S/C21H22N2O4/c24-20(25)13-22-9-11-23(12-10-22)21(26)27-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,24,25)
InChI Key:
XNWPGFGLHGFRRP-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCN(CC1)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
366.417g/mol
Monoisotopic Mass:
366.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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