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(1r,3r)-3-[2-(tert-butoxy)-2-oxoethyl]cyclobutane-1-carboxylic acid

(1r,3r)-3-[2-(tert-butoxy)-2-oxoethyl]cyclobutane-1-carboxylic acid

CAS: 1821398-88-2

Formula: C11H18O4

SMILES: CC(C)(C)OC(=O)C[C@H]1C[C@@H](C1)C(O)=O

IUPAC: (1r,3r)-3-[2-(tert-butoxy)-2-oxoethyl]cyclobutane-1-carboxylic acid

InChI: InChI=1/C11H18O4/c1-11(2,3)15-9(12)6-7-4-8(5-7)10(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)/t7-,8-

Composition: C (61.66%), H (8.47%), O (29.87%)

Molar Mass: 214.261

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 214.12050906
Formal Charge 0
FSP3 0.82
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZNUHNXJFVFZURM-ZKCHVHJHNA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.03
Topological Polar Surface Area 63.6
Polarizability 21.6
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1821398-88-2 $464.05-$909.18$464.05$909.18
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