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3-{2-[(tert-butoxycarbonyl)amino]ethyl}benzoic acid

3-{2-[(tert-butoxycarbonyl)amino]ethyl}benzoic acid

CAS: 141029-23-4

Formula: C14H19NO4

SMILES: CC(C)(C)OC(=O)NCCC1=CC(=CC=C1)C(O)=O

IUPAC: 3-(2-{[(tert-butoxy)carbonyl]amino}ethyl)benzoic acid

InChI: InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-8-7-10-5-4-6-11(9-10)12(16)17/h4-6,9H,7-8H2,1-3H3,(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 0
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 DPFKNLUZGOWEPI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.42
Topological Polar Surface Area 75.63
Polarizability 27.47
Ring Count 1
Rotatable Bond Count 6

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 141029-23-4 $129.60-$620.16$129.60$207.36$620.16
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