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bicyclo[4.2.0]octa-1,3,5-triene-3-carboxylic acid

bicyclo[4.2.0]octa-1,3,5-triene-3-carboxylic acid

CAS: 875-94-5

Formula: C9H8O2

SMILES: OC(=O)C1=CC=C2CCC2=C1

IUPAC: bicyclo[4.2.0]octa-1,3,5-triene-3-carboxylic acid

InChI: InChI=1S/C9H8O2/c10-9(11)8-4-2-6-1-3-7(6)5-8/h2,4-5H,1,3H2,(H,10,11)

Composition: C (72.96%), H (5.44%), O (21.60%)

Molar Mass: 148.161

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 148.052429498
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LOOOVFMUCRDVNN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.59
Topological Polar Surface Area 37.3
Polarizability 15.45
Ring Count 2
Rotatable Bond Count 1

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