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4-{[1-(tert-butoxycarbonyl)azetidin-3-yl]oxy}benzoic acid

4-{[1-(tert-butoxycarbonyl)azetidin-3-yl]oxy}benzoic acid

CAS: 1259323-78-8

Formula: C15H19NO5

SMILES: CC(C)(C)OC(=O)N1CC(C1)OC1=CC=C(C=C1)C(O)=O

IUPAC: 4-({1-[(tert-butoxy)carbonyl]azetidin-3-yl}oxy)benzoic acid

InChI: InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-8-12(9-16)20-11-6-4-10(5-7-11)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)

Composition: C (61.42%), H (6.53%), N (4.78%), O (27.27%)

Molar Mass: 293.319

Atom Count: 40

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 293.126322716
Formal Charge 0
FSP3 0.47
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey BWILLSLXSIKGTH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.2
Topological Polar Surface Area 76.07
Polarizability 29.3
Ring Count 2
Rotatable Bond Count 5

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