methyl 3-methoxythiophene-2-carboxylate

methyl 3-methoxythiophene-2-carboxylate

CAS: 62353-75-7

Formula: C7H8O3S

SMILES: COC(=O)C1=C(OC)C=CS1

IUPAC: methyl 3-methoxythiophene-2-carboxylate

InChI: InChI=1S/C7H8O3S/c1-9-5-3-4-11-6(5)7(8)10-2/h3-4H,1-2H3

Composition: C (48.83%), H (4.68%), O (27.87%), S (18.62%)

Molar Mass: 172.2

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	172.019415292
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MWADWXJPBMFRGL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.44
Topological Polar Surface Area	35.53
Polarizability	16.03
Ring Count	1
Rotatable Bond Count	3

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