6-(2,5-dimethylphenyl)-6-oxohexanoic acid

6-(2,5-dimethylphenyl)-6-oxohexanoic acid

CAS: 861556-61-8

Formula: C14H18O3

SMILES: CC1=CC=C(C)C(=C1)C(=O)CCCCC(O)=O

IUPAC: 6-(2,5-dimethylphenyl)-6-oxohexanoic acid

InChI: InChI=1S/C14H18O3/c1-10-7-8-11(2)12(9-10)13(15)5-3-4-6-14(16)17/h7-9H,3-6H2,1-2H3,(H,16,17)

Composition: C (71.77%), H (7.74%), O (20.49%)

Molar Mass: 234.295

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.12559444
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FECCDGJFEPFWQF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.64
Topological Polar Surface Area	54.37
Polarizability	25.47
Ring Count	1
Rotatable Bond Count	6

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