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2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methylhept-6-enoic acid

2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methylhept-6-enoic acid

CAS: 288617-77-6

Formula: C23H25NO4

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

IUPAC: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylhept-6-enoic acid

InChI: InChI=1/C23H25NO4/c1-3-4-9-14-23(2,21(25)26)24-22(27)28-15-20-18-12-7-5-10-16(18)17-11-6-8-13-19(17)20/h3,5-8,10-13,20H,1,4,9,14-15H2,2H3,(H,24,27)(H,25,26)

Composition: C (72.80%), H (6.64%), N (3.69%), O (16.87%)

Molar Mass: 379.456

Atom Count: 53

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 379.178358289
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MRJFPZWLOJOINV-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 107.66
Topological Polar Surface Area 75.63
Polarizability 42.97
Ring Count 3
Rotatable Bond Count 9

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