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5-(4-methoxyphenyl)-4-methylthiophene-2-carboxylic acid

5-(4-methoxyphenyl)-4-methylthiophene-2-carboxylic acid

CAS: 878680-51-4

Formula: C13H12O3S

SMILES: COC1=CC=C(C=C1)C1=C(C)C=C(S1)C(O)=O

IUPAC: 5-(4-methoxyphenyl)-4-methylthiophene-2-carboxylic acid

InChI: InChI=1S/C13H12O3S/c1-8-7-11(13(14)15)17-12(8)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,14,15)

Composition: C (62.89%), H (4.87%), O (19.33%), S (12.91%)

Molar Mass: 248.3

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 248.05071542
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CDDPJEWSVUJHNJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.63
Topological Polar Surface Area 46.53
Polarizability 26.55
Ring Count 2
Rotatable Bond Count 3

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95% <2 Days 878680-51-4 $518.71$518.71
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