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8-(tert-butoxycarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

8-(tert-butoxycarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

CAS: 479636-66-3

Formula: C13H20N2O5

SMILES: CC(C)(C)OC(=O)N1CCC2(CC(=NO2)C(O)=O)CC1

IUPAC: 8-[(tert-butoxy)carbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid

InChI: InChI=1S/C13H20N2O5/c1-12(2,3)19-11(18)15-6-4-13(5-7-15)8-9(10(16)17)14-20-13/h4-8H2,1-3H3,(H,16,17)

Composition: C (54.92%), H (7.09%), N (9.85%), O (28.14%)

Molar Mass: 284.312

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 284.137221752
Formal Charge 0
FSP3 0.77
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey PEQZOGMNNBDAMT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.48
Topological Polar Surface Area 88.43
Polarizability 27.2
Ring Count 2
Rotatable Bond Count 3

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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 479636-66-3 $125.35-$1,370.80$125.35$143.75$171.35$227.70$342.70$1,370.80
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LabNetwork INC
Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 479636-66-3 $129.74-$1,769.04$129.74$235.87$589.68$1,769.04
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