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285996-72-7 | 2H-Pyran-4-carboxylic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]tetrahydro-
CAS No: 285996-72-7 Catalog No: AG002VST MDL No:MFCD02683137
Product Description
Catalog Number:
AG002VST
Chemical Name:
2H-Pyran-4-carboxylic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]tetrahydro-
CAS Number:
285996-72-7
Molecular Formula:
C21H21NO5
Molecular Weight:
367.3951
MDL Number:
MFCD02683137
IUPAC Name:
4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carboxylic acid
InChI:
InChI=1S/C21H21NO5/c23-19(24)21(9-11-26-12-10-21)22-20(25)27-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,22,25)(H,23,24)
InChI Key:
FBTUQOKQROVXAO-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCOCC1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.142g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.401g/mol
Monoisotopic Mass:
367.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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