Home Carboxys 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethyloxane-4-carboxylic acid

4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethyloxane-4-carboxylic acid

CAS No.:
1693603-05-2
Catalog Number:
AG01EKDY
Molecular Formula:
C23H25NO5
Molecular Weight:
395.4483
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Product Description
Catalog Number:
AG01EKDY
Chemical Name:
4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethyloxane-4-carboxylic acid
CAS Number:
1693603-05-2
Molecular Formula:
C23H25NO5
Molecular Weight:
395.4483
MDL Number:
MFCD31559676
IUPAC Name:
4-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethyloxane-4-carboxylic acid
InChI:
InChI=1S/C23H25NO5/c1-22(2)14-23(20(25)26,11-12-29-22)24-21(27)28-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19H,11-14H2,1-2H3,(H,24,27)(H,25,26)
InChI Key:
UDECQJCABKIMEG-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCOC(C1)(C)C)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
613  
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:
5  
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties