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methyl 2-methylthiophene-3-carboxylate

methyl 2-methylthiophene-3-carboxylate

CAS: 53562-51-9

Formula: C7H8O2S

SMILES: COC(=O)C1=C(C)SC=C1

IUPAC: methyl 2-methylthiophene-3-carboxylate

InChI: InChI=1S/C7H8O2S/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3

Composition: C (53.83%), H (5.16%), O (20.49%), S (20.53%)

Molar Mass: 156.2

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 156.024500672
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey CCNDEWOBDKZGAD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.25
Topological Polar Surface Area 26.3
Polarizability 15.22
Ring Count 1
Rotatable Bond Count 2

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