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3-(tert-butoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid

3-(tert-butoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid

CAS: 1638765-30-6

Formula: C11H16O4

SMILES: CC(C)(C)OC(=O)C12CC(C1)(C2)C(O)=O

IUPAC: 3-[(tert-butoxy)carbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid

InChI: InChI=1S/C11H16O4/c1-9(2,3)15-8(14)11-4-10(5-11,6-11)7(12)13/h4-6H2,1-3H3,(H,12,13)

Composition: C (62.25%), H (7.60%), O (30.15%)

Molar Mass: 212.245

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 212.104858995
Formal Charge 0
FSP3 0.82
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GWMJQGGVPOMUAO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.06
Topological Polar Surface Area 63.6
Polarizability 20.89
Ring Count 2
Rotatable Bond Count 4

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Coreychem
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