Home Carboxys 4-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]oxane-4-carboxylic acid

4-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]oxane-4-carboxylic acid

CAS No.:
2137700-89-9
Catalog Number:
AG01EKPI
Molecular Formula:
C23H25NO5
Molecular Weight:
395.4483
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Product Description
Catalog Number:
AG01EKPI
Chemical Name:
4-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethyl]oxane-4-carboxylic acid
CAS Number:
2137700-89-9
Molecular Formula:
C23H25NO5
Molecular Weight:
395.4483
MDL Number:
MFCD31457136
IUPAC Name:
4-[1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]oxane-4-carboxylic acid
InChI:
InChI=1S/C23H25NO5/c1-15(23(21(25)26)10-12-28-13-11-23)24-22(27)29-14-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20H,10-14H2,1H3,(H,24,27)(H,25,26)
InChI Key:
VQYOJEXPQLQPOI-UHFFFAOYSA-N
SMILES:
O=C(NC(C1(CCOCC1)C(=O)O)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
580  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.173g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
395.455g/mol
Monoisotopic Mass:
395.173g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties