Home Carboxys 4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,1-dioxo-1lambda6-thiomorpholine-2-carboxylic acid

4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,1-dioxo-1lambda6-thiomorpholine-2-carboxylic acid

CAS No.:
2138514-95-9
Catalog Number:
AG01EKXX
Molecular Formula:
C20H19NO6S
Molecular Weight:
401.4330
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Product Description
Catalog Number:
AG01EKXX
Chemical Name:
4-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,1-dioxo-1lambda6-thiomorpholine-2-carboxylic acid
CAS Number:
2138514-95-9
Molecular Formula:
C20H19NO6S
Molecular Weight:
401.4330
MDL Number:
MFCD31559354
IUPAC Name:
4-(9H-fluoren-9-ylmethoxycarbonyl)-1,1-dioxo-1,4-thiazinane-2-carboxylic acid
InChI:
InChI=1S/C20H19NO6S/c22-19(23)18-11-21(9-10-28(18,25)26)20(24)27-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17-18H,9-12H2,(H,22,23)
InChI Key:
RVUOKPXLZZZISL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CN(CCS1(=O)=O)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
695  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.093g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
401.433g/mol
Monoisotopic Mass:
401.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties