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5-methoxythiophene-2-carboxylic acid

5-methoxythiophene-2-carboxylic acid

CAS: 29212-22-4

Formula: C6H6O3S

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

IUPAC: 5-methoxythiophene-2-carboxylic acid

InChI: InChI=1S/C6H6O3S/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)

Composition: C (45.56%), H (3.82%), O (30.35%), S (20.27%)

Molar Mass: 158.17

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 158.003765227
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ILLPXKQRQUSURG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.83
Topological Polar Surface Area 46.53
Polarizability 13.99
Ring Count 1
Rotatable Bond Count 2

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