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4-(4-ethoxy-3,5-dimethylphenyl)butanoic acid

4-(4-ethoxy-3,5-dimethylphenyl)butanoic acid

CAS: 899349-88-3

Formula: C14H20O3

SMILES: CCOC1=C(C)C=C(CCCC(O)=O)C=C1C

IUPAC: 4-(4-ethoxy-3,5-dimethylphenyl)butanoic acid

InChI: InChI=1S/C14H20O3/c1-4-17-14-10(2)8-12(9-11(14)3)6-5-7-13(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)

Composition: C (71.16%), H (8.53%), O (20.31%)

Molar Mass: 236.311

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 236.141244504
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YVRYSNLJPZUWQZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.86
Topological Polar Surface Area 46.53
Polarizability 26.09
Ring Count 1
Rotatable Bond Count 6

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