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2-{4-[(2-oxocyclopentylidene)methyl]phenyl}propanoic acid

2-{4-[(2-oxocyclopentylidene)methyl]phenyl}propanoic acid

CAS: 69956-76-9

Formula: C15H16O3

SMILES: CC(C(O)=O)C1=CC=C(C=C2CCCC2=O)C=C1

IUPAC: 2-{4-[(2-oxocyclopentylidene)methyl]phenyl}propanoic acid

InChI: InChI=1/C15H16O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-10H,2-4H2,1H3,(H,17,18)

Composition: C (73.75%), H (6.60%), O (19.65%)

Molar Mass: 244.29

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 244.109944375
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LQCIKPYFWJPEDQ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.67
Topological Polar Surface Area 54.37
Polarizability 26.51
Ring Count 2
Rotatable Bond Count 3

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