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2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanedioic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanedioic acid

CAS: 218457-73-9

Formula: C21H21NO6

SMILES: OC(=O)CCCC(NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2)C(O)=O

IUPAC: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hexanedioic acid

InChI: InChI=1/C21H21NO6/c23-19(24)11-5-10-18(20(25)26)22-21(27)28-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,27)(H,23,24)(H,25,26)

Composition: C (65.79%), H (5.52%), N (3.65%), O (25.04%)

Molar Mass: 383.4

Atom Count: 49

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 383.1368874
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey DSQHYGKLDYXUSA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 99.97
Topological Polar Surface Area 112.93
Polarizability 40.05
Ring Count 3
Rotatable Bond Count 9

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