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4,5-dimethoxy-2-(thiophene-2-amido)benzoic acid

4,5-dimethoxy-2-(thiophene-2-amido)benzoic acid

CAS: 332163-01-6

Formula: C14H13NO5S

SMILES: COC1=CC(NC(=O)C2=CC=CS2)=C(C=C1OC)C(O)=O

IUPAC: 4,5-dimethoxy-2-(thiophene-2-amido)benzoic acid

InChI: InChI=1S/C14H13NO5S/c1-19-10-6-8(14(17)18)9(7-11(10)20-2)15-13(16)12-4-3-5-21-12/h3-7H,1-2H3,(H,15,16)(H,17,18)

Composition: C (54.72%), H (4.26%), N (4.56%), O (26.03%), S (10.43%)

Molar Mass: 307.32

Atom Count: 34

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 307.051443697
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey WKPFHYKDLARNCJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.66
Topological Polar Surface Area 84.86
Polarizability 29.09
Ring Count 2
Rotatable Bond Count 5

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95% <2 Days 332163-01-6 $213.90-$329.41$213.90$329.41
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