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173690-50-1 | Cyclohexanecarboxylic acid, 4-[[[(9H-fluoren-9-ylmethoxy)carbonyl]methylamino]methyl]-, trans-
CAS No: 173690-50-1 Catalog No: AG001Z40 MDL No:MFCD06656462
Product Description
Catalog Number:
AG001Z40
Chemical Name:
Cyclohexanecarboxylic acid, 4-[[[(9H-fluoren-9-ylmethoxy)carbonyl]methylamino]methyl]-, trans-
CAS Number:
173690-50-1
Molecular Formula:
C24H27NO4
Molecular Weight:
393.4755
MDL Number:
MFCD06656462
IUPAC Name:
4-[[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]methyl]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C24H27NO4/c1-25(14-16-10-12-17(13-11-16)23(26)27)24(28)29-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,22H,10-15H2,1H3,(H,26,27)
InChI Key:
RUPNBZQCCALWQZ-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)CNC[C@@H]1CC[C@H](CC1)C(=O)O
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.194g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
393.483g/mol
Monoisotopic Mass:
393.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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