Home Carboxys 5-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid

5-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid

CAS No.:
2091858-74-9
Catalog Number:
AG01BKC5
Molecular Formula:
C22H18N2O5
Molecular Weight:
390.3887
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Product Description
Catalog Number:
AG01BKC5
Chemical Name:
5-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
CAS Number:
2091858-74-9
Molecular Formula:
C22H18N2O5
Molecular Weight:
390.3887
MDL Number:
MFCD31592683
IUPAC Name:
5-(9H-fluoren-9-ylmethoxycarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
InChI:
InChI=1S/C22H18N2O5/c25-21(26)20-17-11-24(10-9-19(17)29-23-20)22(27)28-12-18-15-7-3-1-5-13(15)14-6-2-4-8-16(14)18/h1-8,18H,9-12H2,(H,25,26)
InChI Key:
PAXCBNILDDPMQL-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)c(no2)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
621  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.122g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
390.395g/mol
Monoisotopic Mass:
390.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties