Home Carboxys 2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]bicyclo[2.2.2]octane-2-carboxylic acid

2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]bicyclo[2.2.2]octane-2-carboxylic acid

CAS No.:
2137628-62-5
Catalog Number:
AG01EKS4
Molecular Formula:
C25H27NO4
Molecular Weight:
405.4862
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Product Description
Catalog Number:
AG01EKS4
Chemical Name:
2-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CAS Number:
2137628-62-5
Molecular Formula:
C25H27NO4
Molecular Weight:
405.4862
MDL Number:
MFCD31665003
IUPAC Name:
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]bicyclo[2.2.2]octane-2-carboxylic acid
InChI:
InChI=1S/C25H27NO4/c27-23(28)25(13-16-9-11-17(25)12-10-16)15-26-24(29)30-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,16-17,22H,9-15H2,(H,26,29)(H,27,28)
InChI Key:
DSSNFLQYNXHHCF-UHFFFAOYSA-N
SMILES:
O=C(NCC1(CC2CCC1CC2)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
636  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.194g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
405.494g/mol
Monoisotopic Mass:
405.194g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties