3-formylphenyl thiophene-2-carboxylate

3-formylphenyl thiophene-2-carboxylate

CAS: 361367-12-6

Formula: C12H8O3S

SMILES: O=CC1=CC=CC(OC(=O)C2=CC=CS2)=C1

IUPAC: 3-formylphenyl thiophene-2-carboxylate

InChI: InChI=1S/C12H8O3S/c13-8-9-3-1-4-10(7-9)15-12(14)11-5-2-6-16-11/h1-8H

Composition: C (62.06%), H (3.47%), O (20.67%), S (13.80%)

Molar Mass: 232.25

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	232.019415292
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MRHAYCPNBNXLKP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.33
Topological Polar Surface Area	43.37
Polarizability	23.07
Ring Count	2
Rotatable Bond Count	4

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