ethyl 4-(thiophene-3-carbonyl)benzoate

ethyl 4-(thiophene-3-carbonyl)benzoate

CAS: 896618-52-3

Formula: C14H12O3S

SMILES: CCOC(=O)C1=CC=C(C=C1)C(=O)C1=CSC=C1

IUPAC: ethyl 4-(thiophene-3-carbonyl)benzoate

InChI: InChI=1S/C14H12O3S/c1-2-17-14(16)11-5-3-10(4-6-11)13(15)12-7-8-18-9-12/h3-9H,2H2,1H3

Composition: C (64.60%), H (4.65%), O (18.44%), S (12.32%)

Molar Mass: 260.31

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	260.05071542
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XVEQJROCOWLIKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.51
Topological Polar Surface Area	43.37
Polarizability	26.91
Ring Count	2
Rotatable Bond Count	5

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