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3-oxocyclobutyl benzoate

3-oxocyclobutyl benzoate

CAS: 1081559-36-5

Formula: C11H10O3

SMILES: O=C(OC1CC(=O)C1)C1=CC=CC=C1

IUPAC: 3-oxocyclobutyl benzoate

InChI: InChI=1S/C11H10O3/c12-9-6-10(7-9)14-11(13)8-4-2-1-3-5-8/h1-5,10H,6-7H2

Composition: C (69.46%), H (5.30%), O (25.24%)

Molar Mass: 190.198

Atom Count: 24

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 190.062994182
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FDNDPGDWTKCCPF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.23
Topological Polar Surface Area 43.37
Polarizability 19.63
Ring Count 2
Rotatable Bond Count 3

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97% <7 Days 1081559-36-5 $214.12-$2,028.02$214.12$333.80$439.45$1,195.87$2,028.02
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95% <5 Days 1081559-36-5 $216.89$216.89
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