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2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)(2-¹³C)propanoic acid

2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)(2-¹³C)propanoic acid

CAS: 788145-61-9

Formula: C18H17NO4

SMILES: C[13CH](NC(=O)OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)C(O)=O

IUPAC: 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)(2-¹³C)propanoic acid

InChI: InChI=1/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)/i11+1

Composition: C (65.38%), [13C] (4.16%), H (5.49%), N (4.48%), O (20.49%)

Molar Mass: 312.329

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 312.119112866
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QWXZOFZKSQXPDC-KHWBWMQUNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.58
Topological Polar Surface Area 75.63
Polarizability 33.99
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 788145-61-9 $786.08-$3,368.93$786.08$1,437.41$3,368.93
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