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167690-53-1 | Cyclohexanecarboxylic acid, 4-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-, trans-
CAS No: 167690-53-1 Catalog No: AG001XJE MDL No:MFCD00273480
Product Description
Catalog Number:
AG001XJE
Chemical Name:
Cyclohexanecarboxylic acid, 4-[[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]methyl]-, trans-
CAS Number:
167690-53-1
Molecular Formula:
C23H25NO4
Molecular Weight:
379.4489
MDL Number:
MFCD00273480
IUPAC Name:
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C23H25NO4/c25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,24,27)(H,25,26)
InChI Key:
MLMIBGARTUSGND-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NC[C@@H]1CC[C@H](CC1)C(=O)O
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.178g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
379.456g/mol
Monoisotopic Mass:
379.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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