Home Carboxys 5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-2-methylfuran-3-carboxylic acid

5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-2-methylfuran-3-carboxylic acid

CAS No.:
2125427-42-9
Catalog Number:
AG01EKD2
Molecular Formula:
C22H19NO5
Molecular Weight:
377.3900
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Product Description
Catalog Number:
AG01EKD2
Chemical Name:
5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-2-methylfuran-3-carboxylic acid
CAS Number:
2125427-42-9
Molecular Formula:
C22H19NO5
Molecular Weight:
377.3900
MDL Number:
MFCD31559741
IUPAC Name:
5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-2-methylfuran-3-carboxylic acid
InChI:
InChI=1S/C22H19NO5/c1-13-19(21(24)25)10-14(28-13)11-23-22(26)27-12-20-17-8-4-2-6-15(17)16-7-3-5-9-18(16)20/h2-10,20H,11-12H2,1H3,(H,23,26)(H,24,25)
InChI Key:
IDINULCZIXVXQP-UHFFFAOYSA-N
SMILES:
O=C(NCc1oc(c(c1)C(=O)O)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
559  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.126g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
377.396g/mol
Monoisotopic Mass:
377.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties