3-(5-formylthiophen-2-yl)benzoic acid

3-(5-formylthiophen-2-yl)benzoic acid

CAS: 606970-74-5

Formula: C12H8O3S

SMILES: OC(=O)C1=CC=CC(=C1)C1=CC=C(S1)C=O

IUPAC: 3-(5-formylthiophen-2-yl)benzoic acid

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

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	3
Hydrogen Bond Donor Count	1
InChIKey	VIKAAKFSYUCLTJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.71
Topological Polar Surface Area	54.37
Polarizability	24.17
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	606970-74-5		$49.16-$196.65$49.16$51.35$63.37$65.55$86.31$196.65