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7-(tert-butoxycarbonyl)-7-azabicyclo[4.2.0]octane-8-carboxylic acid

7-(tert-butoxycarbonyl)-7-azabicyclo[4.2.0]octane-8-carboxylic acid

Formula: C13H21NO4

SMILES: CC(C)(C)OC(=O)N1C2CCCCC2C1C(O)=O

IUPAC: 7-[(tert-butoxy)carbonyl]-7-azabicyclo[4.2.0]octane-8-carboxylic acid

InChI: InChI=1/C13H21NO4/c1-13(2,3)18-12(17)14-9-7-5-4-6-8(9)10(14)11(15)16/h8-10H,4-7H2,1-3H3,(H,15,16)

Composition: C (61.16%), H (8.29%), N (5.49%), O (25.07%)

Molar Mass: 255.314

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 255.14705816
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LWYJZFPVNXCJAC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.57
Topological Polar Surface Area 66.84
Polarizability 25.7
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
J&W PHARMLAB LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C13H21NO4 $11,477.00-$3,447.70$2,297.70$3,447.70$11,477.00
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