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125697-63-4 | Hexanoic acid, 6-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 125697-63-4 Catalog No: AG000OIE MDL No:MFCD03788086
Product Description
Catalog Number:
AG000OIE
Chemical Name:
Hexanoic acid, 6-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
125697-63-4
Molecular Formula:
C25H26N2O6
Molecular Weight:
450.4837
MDL Number:
MFCD03788086
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
InChI:
InChI=1S/C25H26N2O6/c28-22-13-14-23(29)27(22)33-24(30)12-2-1-7-15-26-25(31)32-16-21-19-10-5-3-8-17(19)18-9-4-6-11-20(18)21/h3-6,8-11,21H,1-2,7,12-16H2,(H,26,31)
InChI Key:
PDKIOJMIJUXCND-UHFFFAOYSA-N
SMILES:
O=C(OCC1c2ccccc2c2c1cccc2)NCCCCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.179g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
450.491g/mol
Monoisotopic Mass:
450.179g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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