Home Carboxys 1-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)cyclohexane-1-carboxylic acid

1-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)cyclohexane-1-carboxylic acid

CAS No.:
1697377-42-6
Catalog Number:
AG01EKEW
Molecular Formula:
C23H25NO4
Molecular Weight:
379.4489
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Product Description
Catalog Number:
AG01EKEW
Chemical Name:
1-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)cyclohexane-1-carboxylic acid
CAS Number:
1697377-42-6
Molecular Formula:
C23H25NO4
Molecular Weight:
379.4489
MDL Number:
MFCD31559683
IUPAC Name:
1-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C23H25NO4/c1-24(23(21(25)26)13-7-2-8-14-23)22(27)28-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20H,2,7-8,13-15H2,1H3,(H,25,26)
InChI Key:
KWBSWUDNXUVCEG-UHFFFAOYSA-N
SMILES:
O=C(N(C1(CCCCC1)C(=O)O)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
563  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
379.456g/mol
Monoisotopic Mass:
379.178g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties