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4-{1-[(tert-butoxycarbonyl)amino]ethyl}benzoic acid

4-{1-[(tert-butoxycarbonyl)amino]ethyl}benzoic acid

CAS: 895577-21-6

Formula: C14H19NO4

SMILES: CC(NC(=O)OC(C)(C)C)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-(1-{[(tert-butoxy)carbonyl]amino}ethyl)benzoic acid

InChI: InChI=1/C14H19NO4/c1-9(15-13(18)19-14(2,3)4)10-5-7-11(8-6-10)12(16)17/h5-9H,1-4H3,(H,15,18)(H,16,17)

Composition: C (63.38%), H (7.22%), N (5.28%), O (24.12%)

Molar Mass: 265.309

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 265.131408096
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OKRPFRUXMOYTDV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.08
Topological Polar Surface Area 75.63
Polarizability 27.47
Ring Count 1
Rotatable Bond Count 5

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Acrotein ChemBio Inc.,
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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 895577-21-6 $138.24-$620.16$138.24$207.36$620.16
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96% <2 Days 895577-21-6 $141.45-$4,473.50$141.45$166.75$218.50$322.00$1,127.00$4,473.50
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